CID 61575819

3-[(chlorosulfonyl)(ethyl)amino]propanenitrile

Structural Information

Molecular Formula
C5H9ClN2O2S
SMILES
CCN(CCC#N)S(=O)(=O)Cl
InChI
InChI=1S/C5H9ClN2O2S/c1-2-8(5-3-4-7)11(6,9)10/h2-3,5H2,1H3
InChIKey
NIFRDVDRLPZIFE-UHFFFAOYSA-N
Compound name
N-(2-cyanoethyl)-N-ethylsulfamoyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

196.00732 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.01460 142.6
[M+Na]+ 218.99654 152.6
[M-H]- 195.00004 145.7
[M+NH4]+ 214.04114 161.7
[M+K]+ 234.97048 151.4
[M+H-H2O]+ 179.00458 132.1
[M+HCOO]- 241.00552 154.6
[M+CH3COO]- 255.02117 195.9
[M+Na-2H]- 216.98199 146.1
[M]+ 196.00677 143.1
[M]- 196.00787 143.1
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.