CID 12501974

4-methyl-2,3-dihydro-1h-1,3-benzodiazol-2-one

Structural Information

Molecular Formula
C8H8N2O
SMILES
CC1=C2C(=CC=C1)NC(=O)N2
InChI
InChI=1S/C8H8N2O/c1-5-3-2-4-6-7(5)10-8(11)9-6/h2-4H,1H3,(H2,9,10,11)
InChIKey
HCHIWZADTVYYAR-UHFFFAOYSA-N
Compound name
4-methyl-1,3-dihydrobenzimidazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

138
Patents

148.06366 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.07094 126.7
[M+Na]+ 171.05288 138.4
[M-H]- 147.05638 127.1
[M+NH4]+ 166.09748 147.5
[M+K]+ 187.02682 133.7
[M+H-H2O]+ 131.06092 120.9
[M+HCOO]- 193.06186 148.6
[M+CH3COO]- 207.07751 140.9
[M+Na-2H]- 169.03833 134.7
[M]+ 148.06311 126.2
[M]- 148.06421 126.2
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