CID 1527023

1-propyl-2,3-dihydro-1h-1,3-benzodiazol-2-one

Structural Information

Molecular Formula
C10H12N2O
SMILES
CCCN1C2=CC=CC=C2NC1=O
InChI
InChI=1S/C10H12N2O/c1-2-7-12-9-6-4-3-5-8(9)11-10(12)13/h3-6H,2,7H2,1H3,(H,11,13)
InChIKey
YNFLIDHXMNKSQR-UHFFFAOYSA-N
Compound name
3-propyl-1H-benzimidazol-2-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

6
References

88
Patents

176.09496 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.10224 135.4
[M+Na]+ 199.08418 146.6
[M-H]- 175.08768 136.8
[M+NH4]+ 194.12878 155.7
[M+K]+ 215.05812 142.3
[M+H-H2O]+ 159.09222 128.8
[M+HCOO]- 221.09316 158.0
[M+CH3COO]- 235.10881 177.7
[M+Na-2H]- 197.06963 142.7
[M]+ 176.09441 137.3
[M]- 176.09551 137.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe