CID 22063588

Tert-butyl n-(3-sulfamoylpropyl)carbamate

Structural Information

Molecular Formula
C8H18N2O4S
SMILES
CC(C)(C)OC(=O)NCCCS(=O)(=O)N
InChI
InChI=1S/C8H18N2O4S/c1-8(2,3)14-7(11)10-5-4-6-15(9,12)13/h4-6H2,1-3H3,(H,10,11)(H2,9,12,13)
InChIKey
UFORZZXGNFYDKG-UHFFFAOYSA-N
Compound name
tert-butyl N-(3-sulfamoylpropyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

238.09872 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.105996 152.8
[M+Na]+ 261.087938 158.3
[M-H]- 237.091444 152.4
[M+NH4]+ 256.132543 170.0
[M+K]+ 277.061878 157.1
[M+H-H2O]+ 221.095980 147.2
[M+HCOO]- 283.096921 169.1
[M+CH3COO]- 297.112571 191.2
[M+Na-2H]- 259.073386 156.0
[M]+ 238.09817142 155.7
[M]- 238.09926858 155.7
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