CID 129978

1303890-41-6

Structural Information

Molecular Formula
C9H9N3O2
SMILES
C1=CC2=C(N=C1)N=C(N2)CCC(=O)O
InChI
InChI=1S/C9H9N3O2/c13-8(14)4-3-7-11-6-2-1-5-10-9(6)12-7/h1-2,5H,3-4H2,(H,13,14)(H,10,11,12)
InChIKey
AMKIYJXVMHWITB-UHFFFAOYSA-N
Compound name
3-(1H-imidazo[4,5-b]pyridin-2-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

12
Patents

191.06947 Da
Monoisotopic Mass

0.3
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

literature stripe

Patent stripe

patents stripe