CID 63225272

3-[(chlorosulfonyl)(methyl)amino]butanenitrile

Structural Information

Molecular Formula
C5H9ClN2O2S
SMILES
CC(CC#N)N(C)S(=O)(=O)Cl
InChI
InChI=1S/C5H9ClN2O2S/c1-5(3-4-7)8(2)11(6,9)10/h5H,3H2,1-2H3
InChIKey
CAUWYOJXUGEQOU-UHFFFAOYSA-N
Compound name
N-(1-cyanopropan-2-yl)-N-methylsulfamoyl 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]+ 197.014596 143.1
[M+Na]+ 218.996538 152.9
[M-H]- 195.000044 146.3
[M+NH4]+ 214.041143 162.2
[M+K]+ 234.970478 152.1
[M+H-H2O]+ 179.004580 132.7
[M+HCOO]- 241.005521 154.3
[M+CH3COO]- 255.021171 196.6
[M+Na-2H]- 216.981986 145.7
[M]+ 196.00677142 143.1
[M]- 196.00786858 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.