CID 21292115

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

Structural Information

Molecular Formula
C11H14N2O
SMILES
CC1=CC=CC=C1C2C(=O)NCCN2
InChI
InChI=1S/C11H14N2O/c1-8-4-2-3-5-9(8)10-11(14)13-7-6-12-10/h2-5,10,12H,6-7H2,1H3,(H,13,14)
InChIKey
NAHRUHTWFSFKJA-UHFFFAOYSA-N
Compound name
3-(2-methylphenyl)piperazin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

190.11061 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.117886 143.6
[M+Na]+ 213.099828 149.8
[M-H]- 189.103334 144.4
[M+NH4]+ 208.144433 158.9
[M+K]+ 229.073768 145.0
[M+H-H2O]+ 173.107870 135.8
[M+HCOO]- 235.108811 159.4
[M+CH3COO]- 249.124461 177.7
[M+Na-2H]- 211.085276 147.9
[M]+ 190.11006142 136.2
[M]- 190.11115858 136.2
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