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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	218.092406	152.5
[M+Na]+	240.074348	164.2
[M-H]-	216.077854	154.9
[M+NH4]+	235.118953	163.8
[M+K]+	256.048288	157.6
[M+H-H2O]+	200.082390	144.8
[M+HCOO]-	262.083331	171.5
[M+CH3COO]-	276.098981	163.9
[M+Na-2H]-	238.059796	157.2
[M]+	217.08458142	155.1
[M]-	217.08567858	155.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe