CID 62352286

3-(3-methylphenyl)piperazin-2-one

Structural Information

Molecular Formula
C11H14N2O
SMILES
CC1=CC(=CC=C1)C2C(=O)NCCN2
InChI
InChI=1S/C11H14N2O/c1-8-3-2-4-9(7-8)10-11(14)13-6-5-12-10/h2-4,7,10,12H,5-6H2,1H3,(H,13,14)
InChIKey
ICJMNPIQRKAJNV-UHFFFAOYSA-N
Compound name
3-(3-methylphenyl)piperazin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

190.11061 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.11789 143.9
[M+Na]+ 213.09983 156.5
[M+NH4]+ 208.14443 151.6
[M+K]+ 229.07377 149.9
[M-H]- 189.10333 146.1
[M+Na-2H]- 211.08528 150.5
[M]+ 190.11006 146.1
[M]- 190.11116 146.1
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.