CID 45037420

3-benzyl-1-methylpiperazin-2-one hydrochloride

Structural Information

Molecular Formula

C₁₂H₁₆N₂O

SMILES

CN1CCNC(C1=O)CC2=CC=CC=C2

InChI

InChI=1S/C12H16N2O/c1-14-8-7-13-11(12(14)15)9-10-5-3-2-4-6-10/h2-6,11,13H,7-9H2,1H3

InChIKey

ACSOWGSOCCQEPK-UHFFFAOYSA-N

Compound name

3-benzyl-1-methylpiperazin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 204.12627 Da
Monoisotopic Mass: 1.1
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]+	205.13355	147.9
[M+Na]+	227.11549	160.9
[M+NH4]+	222.16009	155.9
[M+K]+	243.08943	153.7
[M-H]-	203.11899	150.6
[M+Na-2H]-	225.10094	154.9
[M]+	204.12572	150.4
[M]-	204.12682	150.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe