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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[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

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe