CID 53629220

115951-61-6

Structural Information

Molecular Formula

C₈H₇N₃O₂

SMILES

CC1=NC2=NC=CC(=C2N1)C(=O)O

InChI

InChI=1S/C8H7N3O2/c1-4-10-6-5(8(12)13)2-3-9-7(6)11-4/h2-3H,1H3,(H,12,13)(H,9,10,11)

InChIKey

CDKPOCJEKAUMMH-UHFFFAOYSA-N

Compound name

2-methyl-1H-imidazo[4,5-b]pyridine-7-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 177.05383 Da
Monoisotopic Mass: 0.7
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]+	178.06111	134.6
[M+Na]+	200.04305	145.8
[M-H]-	176.04655	133.7
[M+NH4]+	195.08765	152.6
[M+K]+	216.01699	142.1
[M+H-H2O]+	160.05109	127.8
[M+HCOO]-	222.05203	154.3
[M+CH3COO]-	236.06768	175.0
[M+Na-2H]-	198.02850	141.3
[M]+	177.05328	135.3
[M]-	177.05438	135.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe