CID 1514368

1-benzylimidazolidin-4-one

Structural Information

Molecular Formula
C10H12N2O
SMILES
C1C(=O)NCN1CC2=CC=CC=C2
InChI
InChI=1S/C10H12N2O/c13-10-7-12(8-11-10)6-9-4-2-1-3-5-9/h1-5H,6-8H2,(H,11,13)
InChIKey
KDSSDDTWCXOPQH-UHFFFAOYSA-N
Compound name
1-benzylimidazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

176.09496 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.10224 137.9
[M+Na]+ 199.08418 144.9
[M-H]- 175.08768 140.3
[M+NH4]+ 194.12878 156.2
[M+K]+ 215.05812 141.4
[M+H-H2O]+ 159.09222 130.1
[M+HCOO]- 221.09316 157.8
[M+CH3COO]- 235.10881 175.6
[M+Na-2H]- 197.06963 142.3
[M]+ 176.09441 133.8
[M]- 176.09551 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

No literature data available for this compound.

Patent stripe

patents stripe