CID 90227332

Tert-butyl n-[(benzenesulfonyl)methyl]carbamate

Structural Information

Molecular Formula
C12H17NO4S
SMILES
CC(C)(C)OC(=O)NCS(=O)(=O)C1=CC=CC=C1
InChI
InChI=1S/C12H17NO4S/c1-12(2,3)17-11(14)13-9-18(15,16)10-7-5-4-6-8-10/h4-8H,9H2,1-3H3,(H,13,14)
InChIKey
XNSBXNNKFMZTSW-UHFFFAOYSA-N
Compound name
tert-butyl N-(benzenesulfonylmethyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

271.08783 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.09511 161.9
[M+Na]+ 294.07705 170.4
[M+NH4]+ 289.12165 167.6
[M+K]+ 310.05099 165.1
[M-H]- 270.08055 161.2
[M+Na-2H]- 292.06250 166.1
[M]+ 271.08728 163.2
[M]- 271.08838 163.2
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