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

15
Patents

177.09021 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.097486 136.0
[M+Na]+ 200.079428 147.4
[M-H]- 176.082934 136.3
[M+NH4]+ 195.124033 154.8
[M+K]+ 216.053368 143.7
[M+H-H2O]+ 160.087470 128.8
[M+HCOO]- 222.088411 156.6
[M+CH3COO]- 236.104061 149.5
[M+Na-2H]- 198.064876 142.6
[M]+ 177.08966142 137.5
[M]- 177.09075858 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