CID 3016935

4-methyl-1-piperazinecarbonyl chloride

Structural Information

Molecular Formula

C₆H₁₁ClN₂O

SMILES

CN1CCN(CC1)C(=O)Cl

InChI

InChI=1S/C6H11ClN2O/c1-8-2-4-9(5-3-8)6(7)10/h2-5H2,1H3

InChIKey

FBAIGEMWTOSCRU-UHFFFAOYSA-N

Compound name

4-methylpiperazine-1-carbonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1860
Patents: 162.05598 Da
Monoisotopic Mass: 0.6
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]+	163.06326	132.3
[M+Na]+	185.04520	139.6
[M-H]-	161.04870	132.5
[M+NH4]+	180.08980	151.1
[M+K]+	201.01914	137.5
[M+H-H2O]+	145.05324	126.1
[M+HCOO]-	207.05418	145.6
[M+CH3COO]-	221.06983	175.1
[M+Na-2H]-	183.03065	136.7
[M]+	162.05543	130.0
[M]-	162.05653	130.0

Literature stripe

literature stripe

Patent stripe

patents stripe