CID 27281490

1988083-25-5

Structural Information

Molecular Formula

C₇H₈N₂O₂

SMILES

C1=CC(=NC=C1C(=O)O)CN

InChI

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

InChIKey

KKVJAULLCCGPBX-UHFFFAOYSA-N

Compound name

6-(aminomethyl)pyridine-3-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 109
Patents: 152.05858 Da
Monoisotopic Mass: -3.0
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

literature stripe

Patent stripe

patents stripe