CID 17857206

5-phenylpiperazin-2-one

Structural Information

Molecular Formula
C10H12N2O
SMILES
C1C(NCC(=O)N1)C2=CC=CC=C2
InChI
InChI=1S/C10H12N2O/c13-10-7-11-9(6-12-10)8-4-2-1-3-5-8/h1-5,9,11H,6-7H2,(H,12,13)
InChIKey
RMZGIXQVAQTNNP-UHFFFAOYSA-N
Compound name
5-phenylpiperazin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

176.09496 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.10224 139.0
[M+Na]+ 199.08418 144.6
[M-H]- 175.08768 139.5
[M+NH4]+ 194.12878 154.5
[M+K]+ 215.05812 140.0
[M+H-H2O]+ 159.09222 131.1
[M+HCOO]- 221.09316 155.1
[M+CH3COO]- 235.10881 149.7
[M+Na-2H]- 197.06963 144.5
[M]+ 176.09441 130.7
[M]- 176.09551 130.7
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