CID 44152176

3-acetamidophenyl dimethylsulphamate

Structural Information

Molecular Formula
C10H14N2O4S
SMILES
CC(=O)NC1=CC(=CC=C1)OS(=O)(=O)N(C)C
InChI
InChI=1S/C10H14N2O4S/c1-8(13)11-9-5-4-6-10(7-9)16-17(14,15)12(2)3/h4-7H,1-3H3,(H,11,13)
InChIKey
SYBYTWGFALJZPA-UHFFFAOYSA-N
Compound name
(3-acetamidophenyl) N,N-dimethylsulfamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

258.0674 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.074676 154.2
[M+Na]+ 281.056618 160.9
[M-H]- 257.060124 159.4
[M+NH4]+ 276.101223 171.4
[M+K]+ 297.030558 160.1
[M+H-H2O]+ 241.064660 147.3
[M+HCOO]- 303.065601 174.3
[M+CH3COO]- 317.081251 198.8
[M+Na-2H]- 279.042066 158.1
[M]+ 258.06685142 159.0
[M]- 258.06794858 159.0
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.