CID 45082040

2137792-08-4

Structural Information

Molecular Formula

C₇H₈N₂O₂

SMILES

C1=CC(=NC=C1CN)C(=O)O

InChI

InChI=1S/C7H8N2O2/c8-3-5-1-2-6(7(10)11)9-4-5/h1-2,4H,3,8H2,(H,10,11)

InChIKey

VGLKYVZUHILZIE-UHFFFAOYSA-N

Compound name

5-(aminomethyl)pyridine-2-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 47
Patents: 152.05858 Da
Monoisotopic Mass: -2.7
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]+	153.065856	129.5
[M+Na]+	175.047798	137.4
[M-H]-	151.051304	130.4
[M+NH4]+	170.092403	148.1
[M+K]+	191.021738	135.4
[M+H-H2O]+	135.055840	123.2
[M+HCOO]-	197.056781	152.0
[M+CH3COO]-	211.072431	174.7
[M+Na-2H]-	173.033246	135.6
[M]+	152.05803142	127.5
[M]-	152.05912858	127.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe