CID 84048265

3-(hydroxymethyl)-1-methylpiperazin-2-one hydrochloride

Structural Information

Molecular Formula

C₆H₁₂N₂O₂

SMILES

CN1CCNC(C1=O)CO

InChI

InChI=1S/C6H12N2O2/c1-8-3-2-7-5(4-9)6(8)10/h5,7,9H,2-4H2,1H3

InChIKey

YXNUSEWANCQVMM-UHFFFAOYSA-N

Compound name

3-(hydroxymethyl)-1-methylpiperazin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 144.08987 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]+	145.09715	131.6
[M+Na]+	167.07909	138.5
[M-H]-	143.08259	129.5
[M+NH4]+	162.12369	149.1
[M+K]+	183.05303	136.3
[M+H-H2O]+	127.08713	125.4
[M+HCOO]-	189.08807	147.7
[M+CH3COO]-	203.10372	169.0
[M+Na-2H]-	165.06454	135.8
[M]+	144.08932	126.3
[M]-	144.09042	126.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe