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]+ 286.11078 164.1
[M+Na]+ 308.09272 170.1
[M-H]- 284.09622 169.0
[M+NH4]+ 303.13732 180.6
[M+K]+ 324.06666 169.3
[M+H-H2O]+ 268.10076 157.6
[M+HCOO]- 330.10170 180.9
[M+CH3COO]- 344.11735 200.6
[M+Na-2H]- 306.07817 167.8
[M]+ 285.10295 169.8
[M]- 285.10405 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.