CID 250681

3-phenylpiperazin-2-one

Structural Information

Molecular Formula
C10H12N2O
SMILES
C1CNC(=O)C(N1)C2=CC=CC=C2
InChI
InChI=1S/C10H12N2O/c13-10-9(11-6-7-12-10)8-4-2-1-3-5-8/h1-5,9,11H,6-7H2,(H,12,13)
InChIKey
WKFFHKBGGZHQAX-UHFFFAOYSA-N
Compound name
3-phenylpiperazin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

111
Patents

176.09496 Da
Monoisotopic Mass

0.6
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

literature stripe

Patent stripe

patents stripe