CID 3682854

1-isopropyl-1h-imidazo[4,5-c]pyridin-2-ol

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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.09749 136.0
[M+Na]+ 200.07943 147.4
[M-H]- 176.08293 136.3
[M+NH4]+ 195.12403 154.8
[M+K]+ 216.05337 143.7
[M+H-H2O]+ 160.08747 128.8
[M+HCOO]- 222.08841 156.6
[M+CH3COO]- 236.10406 149.5
[M+Na-2H]- 198.06488 142.6
[M]+ 177.08966 137.5
[M]- 177.09076 137.5
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