CID 3682854

34654-25-6

Structural Information

Molecular Formula

C₉H₁₁N₃O

SMILES

CC(C)N1C2=C(C=NC=C2)NC1=O

InChI

InChI=1S/C9H11N3O/c1-6(2)12-8-3-4-10-5-7(8)11-9(12)13/h3-6H,1-2H3,(H,11,13)

InChIKey

SWQWCISGBJNYFW-UHFFFAOYSA-N

Compound name

1-propan-2-yl-3H-imidazo[4,5-c]pyridin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 16
Patents: 177.09021 Da
Monoisotopic Mass: 0.5
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]+	178.09749	136.0
[M+Na]+	200.07943	149.5
[M+NH4]+	195.12403	143.4
[M+K]+	216.05337	145.7
[M-H]-	176.08293	135.9
[M+Na-2H]-	198.06488	141.8
[M]+	177.08966	137.7
[M]-	177.09076	137.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe