CID 83697708

1-methyl-5-phenylpiperazin-2-one

Structural Information

Molecular Formula
C11H14N2O
SMILES
CN1CC(NCC1=O)C2=CC=CC=C2
InChI
InChI=1S/C11H14N2O/c1-13-8-10(12-7-11(13)14)9-5-3-2-4-6-9/h2-6,10,12H,7-8H2,1H3
InChIKey
XTZUZTPCFNPDJJ-UHFFFAOYSA-N
Compound name
1-methyl-5-phenylpiperazin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

190.11061 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.117886 142.9
[M+Na]+ 213.099828 149.5
[M-H]- 189.103334 145.0
[M+NH4]+ 208.144433 158.9
[M+K]+ 229.073768 145.6
[M+H-H2O]+ 173.107870 134.8
[M+HCOO]- 235.108811 160.2
[M+CH3COO]- 249.124461 180.2
[M+Na-2H]- 211.085276 147.6
[M]+ 190.11006142 137.3
[M]- 190.11115858 137.3
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