CID 132388286

Rac-(1r,2s)-2-{3h-imidazo[4,5-b]pyridin-2-yl}cyclopropane-1-carboxylic acid

Structural Information

Molecular Formula
C10H9N3O2
SMILES
C1[C@@H]([C@@H]1C(=O)O)C2=NC3=C(N2)C=CC=N3
InChI
InChI=1S/C10H9N3O2/c14-10(15)6-4-5(6)8-12-7-2-1-3-11-9(7)13-8/h1-3,5-6H,4H2,(H,14,15)(H,11,12,13)/t5-,6+/m0/s1
InChIKey
GNYKHZOILRGLQF-NTSWFWBYSA-N
Compound name
(1R,2S)-2-(1H-imidazo[4,5-b]pyridin-2-yl)cyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

203.06947 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.07675 148.3
[M+Na]+ 226.05869 160.5
[M-H]- 202.06219 150.9
[M+NH4]+ 221.10329 160.2
[M+K]+ 242.03263 154.1
[M+H-H2O]+ 186.06673 140.9
[M+HCOO]- 248.06767 167.7
[M+CH3COO]- 262.08332 160.2
[M+Na-2H]- 224.04414 153.5
[M]+ 203.06892 150.6
[M]- 203.07002 150.6
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.