CID 55279833

2361634-46-8

Structural Information

Molecular Formula

C₇H₁₅ClN₂O₂S

SMILES

CN1CCN(CC1)CCS(=O)(=O)Cl

InChI

InChI=1S/C7H15ClN2O2S/c1-9-2-4-10(5-3-9)6-7-13(8,11)12/h2-7H2,1H3

InChIKey

QJQBFCLTSPZBGT-UHFFFAOYSA-N

Compound name

2-(4-methylpiperazin-1-yl)ethanesulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 226.05428 Da
Monoisotopic Mass: 0.2
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]+	227.06156	148.3
[M+Na]+	249.04350	158.7
[M+NH4]+	244.08810	155.5
[M+K]+	265.01744	151.4
[M-H]-	225.04700	147.5
[M+Na-2H]-	247.02895	151.5
[M]+	226.05373	150.1
[M]-	226.05483	150.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe