CID 21416978

N-tert-butyl-n-methylsulfamoyl chloride

Structural Information

Molecular Formula
C5H12ClNO2S
SMILES
CC(C)(C)N(C)S(=O)(=O)Cl
InChI
InChI=1S/C5H12ClNO2S/c1-5(2,3)7(4)10(6,8)9/h1-4H3
InChIKey
NBBZEZVHTXIGQE-UHFFFAOYSA-N
Compound name
N-tert-butyl-N-methylsulfamoyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

185.02773 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.03501 135.0
[M+Na]+ 208.01695 143.8
[M-H]- 184.02045 137.7
[M+NH4]+ 203.06155 156.9
[M+K]+ 223.99089 142.4
[M+H-H2O]+ 168.02499 131.8
[M+HCOO]- 230.02593 148.4
[M+CH3COO]- 244.04158 182.4
[M+Na-2H]- 206.00240 139.9
[M]+ 185.02718 140.5
[M]- 185.02828 140.5
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

patents stripe