CID 12121577

Tert-butyl n-(benzenesulfonyl)carbamate

Structural Information

Molecular Formula
C11H15NO4S
SMILES
CC(C)(C)OC(=O)NS(=O)(=O)C1=CC=CC=C1
InChI
InChI=1S/C11H15NO4S/c1-11(2,3)16-10(13)12-17(14,15)9-7-5-4-6-8-9/h4-8H,1-3H3,(H,12,13)
InChIKey
ACAGCLKCWRMBAK-UHFFFAOYSA-N
Compound name
tert-butyl N-(benzenesulfonyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

257.07217 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.079446 156.1
[M+Na]+ 280.061388 162.9
[M-H]- 256.064894 159.9
[M+NH4]+ 275.105993 173.1
[M+K]+ 296.035328 161.0
[M+H-H2O]+ 240.069430 150.2
[M+HCOO]- 302.070371 173.1
[M+CH3COO]- 316.086021 191.2
[M+Na-2H]- 278.046836 161.3
[M]+ 257.07162142 159.8
[M]- 257.07271858 159.8
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