CID 50999130

870300-76-8

Structural Information

Molecular Formula
C12H17NO5S
SMILES
CC(C)(C)OC(=O)N(CS(=O)(=O)C1=CC=CC=C1)O
InChI
InChI=1S/C12H17NO5S/c1-12(2,3)18-11(14)13(15)9-19(16,17)10-7-5-4-6-8-10/h4-8,15H,9H2,1-3H3
InChIKey
DMLPXBUBDIDOGJ-UHFFFAOYSA-N
Compound name
tert-butyl N-(benzenesulfonylmethyl)-N-hydroxycarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

287.08273 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.09001 162.9
[M+Na]+ 310.07195 168.6
[M-H]- 286.07545 166.4
[M+NH4]+ 305.11655 178.4
[M+K]+ 326.04589 167.7
[M+H-H2O]+ 270.07999 156.7
[M+HCOO]- 332.08093 178.7
[M+CH3COO]- 346.09658 197.2
[M+Na-2H]- 308.05740 167.0
[M]+ 287.08218 167.8
[M]- 287.08328 167.8
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

No patent data available for this compound.