5-(Methoxycarbonyl)pyridine-2-carboxylic acid(17874-79-2) MS
Product Name5-(Methoxycarbonyl)pyridine-2-carboxylic acid
CAS17874-79-2
Molecular FormulaC8H7NO4
Molecular Weight181.15
InChIInChI=1S/C8H7NO4/c1-13-8(12)5-2-3-6(7(10)11)9-4-5/h2-4H,1H3,(H,10,11)
InChIKey NTCKZTBRFXTYBD-UHFFFAOYSA-N
SmilesC1(C(O)=O)=NC=C(C(OC)=O)C=C1
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MassMS-IW-2693 5-methyl hydrogen 2,5-pyridinedicarboxylate C8H7NO4 (Mass of molecular ion: 181)
Source Temperature: 130 °C Sample Temperature: 110 °C Direct, 75 eV
15.0 9.2 17.0 8.0 18.0 36.2 26.0 2.9 27.0 2.8 28.0 5.6 29.0 1.7 37.0 1.4 38.0 3.3 38.5 1.9 39.0 5.4 44.0 1.0 45.0 5.3 49.0 2.9 50.0 17.2 51.0 27.8 52.0 6.1 52.5 2.1 53.0 4.1 59.0 8.7 65.0 2.8 66.0 3.0 75.0 3.1 76.0 6.7 77.0 16.3 78.0 21.7 79.0 3.9 80.0 1.2 92.0 1.9 93.0 2.3 94.0 2.8 104.0 3.5 105.0 5.8 106.0 16.5 107.0 1.4 122.0 27.4 123.0 3.2 136.0 6.6 137.0 100.0 138.0 8.1 149.0 1.0 150.0 35.6 151.0 3.2 164.0 1.3 181.0 1.9
KBr disc
nujol mull
