CID 63287553

3-[(chlorosulfonyl)(2-methoxyethyl)amino]propanenitrile

Structural Information

Molecular Formula
C6H11ClN2O3S
SMILES
COCCN(CCC#N)S(=O)(=O)Cl
InChI
InChI=1S/C6H11ClN2O3S/c1-12-6-5-9(4-2-3-8)13(7,10)11/h2,4-6H2,1H3
InChIKey
CPELKQYFRJBIPL-UHFFFAOYSA-N
Compound name
N-(2-cyanoethyl)-N-(2-methoxyethyl)sulfamoyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

226.0179 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.025176 148.2
[M+Na]+ 249.007118 157.7
[M-H]- 225.010624 151.1
[M+NH4]+ 244.051723 166.2
[M+K]+ 264.981058 156.8
[M+H-H2O]+ 209.015160 137.4
[M+HCOO]- 271.016101 160.3
[M+CH3COO]- 285.031751 200.3
[M+Na-2H]- 246.992566 151.6
[M]+ 226.01735142 150.3
[M]- 226.01844858 150.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.