CID 71742669

6-(aminomethyl)imidazo[1,2-a]pyridine-2-carboxylic acid dihydrochloride

Structural Information

Molecular Formula
C9H9N3O2
SMILES
C1=CC2=NC(=CN2C=C1CN)C(=O)O
InChI
InChI=1S/C9H9N3O2/c10-3-6-1-2-8-11-7(9(13)14)5-12(8)4-6/h1-2,4-5H,3,10H2,(H,13,14)
InChIKey
KPWXFDYXYUQFNY-UHFFFAOYSA-N
Compound name
6-(aminomethyl)imidazo[1,2-a]pyridine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

191.06947 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.07675 137.8
[M+Na]+ 214.05869 148.0
[M-H]- 190.06219 139.0
[M+NH4]+ 209.10329 156.6
[M+K]+ 230.03263 144.7
[M+H-H2O]+ 174.06673 130.9
[M+HCOO]- 236.06767 160.4
[M+CH3COO]- 250.08332 182.0
[M+Na-2H]- 212.04414 144.0
[M]+ 191.06892 138.5
[M]- 191.07002 138.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe