CID 18537882

3-{3h-imidazo[4,5-c]pyridin-2-yl}propanoic acid

Structural Information

Molecular Formula
C9H9N3O2
SMILES
C1=CN=CC2=C1N=C(N2)CCC(=O)O
InChI
InChI=1S/C9H9N3O2/c13-9(14)2-1-8-11-6-3-4-10-5-7(6)12-8/h3-5H,1-2H2,(H,11,12)(H,13,14)
InChIKey
BFWIIULHXIRTDK-UHFFFAOYSA-N
Compound name
3-(3H-imidazo[4,5-c]pyridin-2-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

191.06947 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.07675 138.9
[M+Na]+ 214.05869 148.7
[M-H]- 190.06219 137.4
[M+NH4]+ 209.10329 155.9
[M+K]+ 230.03263 144.7
[M+H-H2O]+ 174.06673 131.5
[M+HCOO]- 236.06767 158.2
[M+CH3COO]- 250.08332 176.8
[M+Na-2H]- 212.04414 145.8
[M]+ 191.06892 139.5
[M]- 191.07002 139.5
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

No patent data available for this compound.