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]+ 227.02518 148.2
[M+Na]+ 249.00712 157.7
[M-H]- 225.01062 151.1
[M+NH4]+ 244.05172 166.2
[M+K]+ 264.98106 156.8
[M+H-H2O]+ 209.01516 137.4
[M+HCOO]- 271.01610 160.3
[M+CH3COO]- 285.03175 200.3
[M+Na-2H]- 246.99257 151.6
[M]+ 226.01735 150.3
[M]- 226.01845 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.