CID 55280530

1314911-07-3

Structural Information

Molecular Formula

C₅H₁₀ClNO₄S

SMILES

CN(C)C(=O)OCCS(=O)(=O)Cl

InChI

InChI=1S/C5H10ClNO4S/c1-7(2)5(8)11-3-4-12(6,9)10/h3-4H2,1-2H3

InChIKey

CVKFPHDKRGAKPV-UHFFFAOYSA-N

Compound name

2-chlorosulfonylethyl N,N-dimethylcarbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 215.0019 Da
Monoisotopic Mass: 0.3
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]+	216.00918	139.5
[M+Na]+	237.99112	147.7
[M-H]-	213.99462	142.0
[M+NH4]+	233.03572	159.8
[M+K]+	253.96506	146.7
[M+H-H2O]+	197.99916	135.6
[M+HCOO]-	260.00010	154.2
[M+CH3COO]-	274.01575	185.3
[M+Na-2H]-	235.97657	142.9
[M]+	215.00135	147.0
[M]-	215.00245	147.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.