CID 65142969

Tert-butyl n-(2-sulfamoylethyl)carbamate

Structural Information

Molecular Formula
C7H16N2O4S
SMILES
CC(C)(C)OC(=O)NCCS(=O)(=O)N
InChI
InChI=1S/C7H16N2O4S/c1-7(2,3)13-6(10)9-4-5-14(8,11)12/h4-5H2,1-3H3,(H,9,10)(H2,8,11,12)
InChIKey
WDCXNCQLLWKKKN-UHFFFAOYSA-N
Compound name
tert-butyl N-(2-sulfamoylethyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

39
Patents

224.08308 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.09036 148.4
[M+Na]+ 247.07230 154.3
[M-H]- 223.07580 148.2
[M+NH4]+ 242.11690 166.1
[M+K]+ 263.04624 153.3
[M+H-H2O]+ 207.08034 143.0
[M+HCOO]- 269.08128 165.0
[M+CH3COO]- 283.09693 188.2
[M+Na-2H]- 245.05775 152.0
[M]+ 224.08253 150.9
[M]- 224.08363 150.9
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