CID 55253258

5-methylpiperazin-2-one

Structural Information

Molecular Formula

C₅H₁₀N₂O

SMILES

CC1CNC(=O)CN1

InChI

InChI=1S/C5H10N2O/c1-4-2-7-5(8)3-6-4/h4,6H,2-3H2,1H3,(H,7,8)

InChIKey

SODLPCCEKPQWAY-UHFFFAOYSA-N

Compound name

5-methylpiperazin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 111
Patents: 114.079315 Da
Monoisotopic Mass: -0.7
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]+	115.086591	124.5
[M+Na]+	137.068533	130.9
[M-H]-	113.072039	122.1
[M+NH4]+	132.113138	143.0
[M+K]+	153.042473	128.6
[M+H-H2O]+	97.076575	118.4
[M+HCOO]-	159.077516	140.7
[M+CH3COO]-	173.093166	162.7
[M+Na-2H]-	135.053981	130.0
[M]+	114.07876642	117.0
[M]-	114.07986358	117.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe