CID 89054

2-methylimidazo[1,2-a]pyridine-3-carboxylic acid

Structural Information

Molecular Formula
C9H8N2O2
SMILES
CC1=C(N2C=CC=CC2=N1)C(=O)O
InChI
InChI=1S/C9H8N2O2/c1-6-8(9(12)13)11-5-3-2-4-7(11)10-6/h2-5H,1H3,(H,12,13)
InChIKey
FBIUGCLQMKPURJ-UHFFFAOYSA-N
Compound name
2-methylimidazo[1,2-a]pyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

175
Patents

176.05858 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.06586 133.6
[M+Na]+ 199.04780 144.8
[M-H]- 175.05130 135.4
[M+NH4]+ 194.09240 153.8
[M+K]+ 215.02174 141.9
[M+H-H2O]+ 159.05584 127.2
[M+HCOO]- 221.05678 155.9
[M+CH3COO]- 235.07243 177.6
[M+Na-2H]- 197.03325 140.4
[M]+ 176.05803 136.1
[M]- 176.05913 136.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe