CID 154577122

2418695-98-2

Structural Information

Molecular Formula
C13H19NO4S
SMILES
CC(C)(C)OC(=O)N(C)CS(=O)(=O)C1=CC=CC=C1
InChI
InChI=1S/C13H19NO4S/c1-13(2,3)18-12(15)14(4)10-19(16,17)11-8-6-5-7-9-11/h5-9H,10H2,1-4H3
InChIKey
WSLALJNTFHYOMC-UHFFFAOYSA-N
Compound name
tert-butyl N-(benzenesulfonylmethyl)-N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

285.1035 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.110776 164.1
[M+Na]+ 308.092718 170.1
[M-H]- 284.096224 169.0
[M+NH4]+ 303.137323 180.6
[M+K]+ 324.066658 169.3
[M+H-H2O]+ 268.100760 157.6
[M+HCOO]- 330.101701 180.9
[M+CH3COO]- 344.117351 200.6
[M+Na-2H]- 306.078166 167.8
[M]+ 285.10295142 169.8
[M]- 285.10404858 169.8
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.