CID 43200120

1021143-11-2

Structural Information

Molecular Formula

C₄H₈ClNO₄S

SMILES

CN(CC(=O)OC)S(=O)(=O)Cl

InChI

InChI=1S/C4H8ClNO4S/c1-6(11(5,8)9)3-4(7)10-2/h3H2,1-2H3

InChIKey

JBQFIIQUUCBBDQ-UHFFFAOYSA-N

Compound name

methyl 2-[chlorosulfonyl(methyl)amino]acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 200.98625 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]+	201.99353	134.7
[M+Na]+	223.97547	143.3
[M-H]-	199.97897	137.3
[M+NH4]+	219.02007	155.5
[M+K]+	239.94941	142.5
[M+H-H2O]+	183.98351	131.0
[M+HCOO]-	245.98445	149.7
[M+CH3COO]-	260.00010	182.9
[M+Na-2H]-	221.96092	138.6
[M]+	200.98570	141.9
[M]-	200.98680	141.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.