CID 61578550

3-[(chlorosulfonyl)(methyl)amino]-2-methylpropanenitrile

Structural Information

Molecular Formula
C5H9ClN2O2S
SMILES
CC(CN(C)S(=O)(=O)Cl)C#N
InChI
InChI=1S/C5H9ClN2O2S/c1-5(3-7)4-8(2)11(6,9)10/h5H,4H2,1-2H3
InChIKey
TWCIMQOUUKFAQU-UHFFFAOYSA-N
Compound name
N-(2-cyanopropyl)-N-methylsulfamoyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

196.00732 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.01460 143.1
[M+Na]+ 218.99654 152.9
[M-H]- 195.00004 146.3
[M+NH4]+ 214.04114 162.2
[M+K]+ 234.97048 152.1
[M+H-H2O]+ 179.00458 132.7
[M+HCOO]- 241.00552 154.3
[M+CH3COO]- 255.02117 196.6
[M+Na-2H]- 216.98199 145.7
[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.