CID 12562075

39658-45-2

Structural Information

Molecular Formula

C₇H₈N₂O₂

SMILES

C1=CC(=NC=C1CC(=O)O)N

InChI

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

InChIKey

CKUZZJJDLFBRDE-UHFFFAOYSA-N

Compound name

2-(6-aminopyridin-3-yl)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 88
Patents: 152.05858 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]+	153.06586	129.5
[M+Na]+	175.04780	137.4
[M-H]-	151.05130	130.4
[M+NH4]+	170.09240	148.1
[M+K]+	191.02174	135.4
[M+H-H2O]+	135.05584	123.2
[M+HCOO]-	197.05678	152.0
[M+CH3COO]-	211.07243	174.7
[M+Na-2H]-	173.03325	135.6
[M]+	152.05803	127.5
[M]-	152.05913	127.5

Literature stripe

literature stripe

Patent stripe

patents stripe