CID 13843024

1-phenylpiperazin-2-one

Structural Information

Molecular Formula
C10H12N2O
SMILES
C1CN(C(=O)CN1)C2=CC=CC=C2
InChI
InChI=1S/C10H12N2O/c13-10-8-11-6-7-12(10)9-4-2-1-3-5-9/h1-5,11H,6-8H2
InChIKey
YWUNGYFXNDOGNZ-UHFFFAOYSA-N
Compound name
1-phenylpiperazin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

357
Patents

176.09496 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.10224 138.3
[M+Na]+ 199.08418 144.4
[M-H]- 175.08768 140.2
[M+NH4]+ 194.12878 154.6
[M+K]+ 215.05812 140.7
[M+H-H2O]+ 159.09222 130.1
[M+HCOO]- 221.09316 156.0
[M+CH3COO]- 235.10881 149.7
[M+Na-2H]- 197.06963 144.3
[M]+ 176.09441 131.9
[M]- 176.09551 131.9
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