CID 70307629

2-(cyclopropylmethyl)-3h-imidazo[4,5-b]pyridine-7-carboxylic acid

Structural Information

Molecular Formula
C11H11N3O2
SMILES
C1CC1CC2=NC3=NC=CC(=C3N2)C(=O)O
InChI
InChI=1S/C11H11N3O2/c15-11(16)7-3-4-12-10-9(7)13-8(14-10)5-6-1-2-6/h3-4,6H,1-2,5H2,(H,15,16)(H,12,13,14)
InChIKey
IWBWOLLNBHCROP-UHFFFAOYSA-N
Compound name
2-(cyclopropylmethyl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

217.08513 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.09241 152.5
[M+Na]+ 240.07435 164.2
[M-H]- 216.07785 154.9
[M+NH4]+ 235.11895 163.8
[M+K]+ 256.04829 157.6
[M+H-H2O]+ 200.08239 144.8
[M+HCOO]- 262.08333 171.5
[M+CH3COO]- 276.09898 163.9
[M+Na-2H]- 238.05980 157.2
[M]+ 217.08458 155.1
[M]- 217.08568 155.1
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