CID 11171617

4-methylpiperazine-1-sulfonyl chloride

Structural Information

Molecular Formula

C₅H₁₁ClN₂O₂S

SMILES

CN1CCN(CC1)S(=O)(=O)Cl

InChI

InChI=1S/C5H11ClN2O2S/c1-7-2-4-8(5-3-7)11(6,9)10/h2-5H2,1H3

InChIKey

GDYYZWFHNRVHCC-UHFFFAOYSA-N

Compound name

4-methylpiperazine-1-sulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 318
Patents: 198.02298 Da
Monoisotopic Mass: 0.1
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]+	199.03026	137.7
[M+Na]+	221.01220	146.1
[M-H]-	197.01570	138.6
[M+NH4]+	216.05680	155.7
[M+K]+	236.98614	143.3
[M+H-H2O]+	181.02024	132.3
[M+HCOO]-	243.02118	146.0
[M+CH3COO]-	257.03683	177.3
[M+Na-2H]-	218.99765	141.1
[M]+	198.02243	138.0
[M]-	198.02353	138.0

Literature stripe

literature stripe

Patent stripe

patents stripe