CID 10726542

148017-28-1

Structural Information

Molecular Formula
C5H12N2O4S
SMILES
CC(C)(C)OC(=O)NS(=O)(=O)N
InChI
InChI=1S/C5H12N2O4S/c1-5(2,3)11-4(8)7-12(6,9)10/h1-3H3,(H,7,8)(H2,6,9,10)
InChIKey
WPCQASPMIALUEE-UHFFFAOYSA-N
Compound name
tert-butyl N-sulfamoylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

234
Patents

196.05177 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.05905 139.6
[M+Na]+ 219.04099 146.3
[M-H]- 195.04449 139.7
[M+NH4]+ 214.08559 158.4
[M+K]+ 235.01493 145.8
[M+H-H2O]+ 179.04903 134.5
[M+HCOO]- 241.04997 156.8
[M+CH3COO]- 255.06562 182.2
[M+Na-2H]- 217.02644 144.1
[M]+ 196.05122 141.3
[M]- 196.05232 141.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe