CID 231403

1-benzylimidazolidin-2-one

Structural Information

Molecular Formula
C10H12N2O
SMILES
C1CN(C(=O)N1)CC2=CC=CC=C2
InChI
InChI=1S/C10H12N2O/c13-10-11-6-7-12(10)8-9-4-2-1-3-5-9/h1-5H,6-8H2,(H,11,13)
InChIKey
IXNSPEIJKZNYLL-UHFFFAOYSA-N
Compound name
1-benzylimidazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

288
Patents

176.09496 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.102236 137.9
[M+Na]+ 199.084178 144.9
[M-H]- 175.087684 140.3
[M+NH4]+ 194.128783 156.2
[M+K]+ 215.058118 141.4
[M+H-H2O]+ 159.092220 130.1
[M+HCOO]- 221.093161 157.8
[M+CH3COO]- 235.108811 175.6
[M+Na-2H]- 197.069626 142.3
[M]+ 176.09441142 133.8
[M]- 176.09550858 133.8
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