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 143.6
[M+Na]+ 213.09983 149.8
[M-H]- 189.10333 144.4
[M+NH4]+ 208.14443 158.9
[M+K]+ 229.07377 145.0
[M+H-H2O]+ 173.10787 135.8
[M+HCOO]- 235.10881 159.4
[M+CH3COO]- 249.12446 177.7
[M+Na-2H]- 211.08528 147.9
[M]+ 190.11006 136.2
[M]- 190.11116 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

No patent data available for this compound.