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]+ 192.076746 138.9
[M+Na]+ 214.058688 148.7
[M-H]- 190.062194 137.4
[M+NH4]+ 209.103293 155.9
[M+K]+ 230.032628 144.7
[M+H-H2O]+ 174.066730 131.5
[M+HCOO]- 236.067671 158.2
[M+CH3COO]- 250.083321 176.8
[M+Na-2H]- 212.044136 145.8
[M]+ 191.06892142 139.5
[M]- 191.07001858 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.