CID 22174782

887579-62-6

Structural Information

Molecular Formula

C₇H₄N₂O₂

SMILES

C1=C(C=NC=C1C(=O)O)C#N

InChI

InChI=1S/C7H4N2O2/c8-2-5-1-6(7(10)11)4-9-3-5/h1,3-4H,(H,10,11)

InChIKey

YLVWEUCOZIMGPV-UHFFFAOYSA-N

Compound name

5-cyanopyridine-3-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 137
Patents: 148.02728 Da
Monoisotopic Mass: 0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	149.03456	128.6
[M+Na]+	171.01650	138.9
[M-H]-	147.02000	129.6
[M+NH4]+	166.06110	145.7
[M+K]+	186.99044	136.7
[M+H-H2O]+	131.02454	115.9
[M+HCOO]-	193.02548	147.1
[M+CH3COO]-	207.04113	184.9
[M+Na-2H]-	169.00195	134.9
[M]+	148.02673	123.1
[M]-	148.02783	123.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe