CID 66545131

1-benzyl-5,5-dimethylimidazolidin-2-one

Structural Information

Molecular Formula
C12H16N2O
SMILES
CC1(CNC(=O)N1CC2=CC=CC=C2)C
InChI
InChI=1S/C12H16N2O/c1-12(2)9-13-11(15)14(12)8-10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3,(H,13,15)
InChIKey
XSKHLLQHJQAERZ-UHFFFAOYSA-N
Compound name
1-benzyl-5,5-dimethylimidazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

204.12627 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.13355 145.9
[M+Na]+ 227.11549 154.0
[M-H]- 203.11899 148.8
[M+NH4]+ 222.16009 165.5
[M+K]+ 243.08943 150.3
[M+H-H2O]+ 187.12353 138.8
[M+HCOO]- 249.12447 165.3
[M+CH3COO]- 263.14012 182.3
[M+Na-2H]- 225.10094 149.7
[M]+ 204.12572 143.2
[M]- 204.12682 143.2
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

No patent data available for this compound.