CID 77753

Sulfonium, (3-(methylcarbamoyloxy)phenyl)dimethyl-, methylsulfate

Structural Information

Molecular Formula
C10H14NO2S
SMILES
CNC(=O)OC1=CC(=CC=C1)[S+](C)C
InChI
InChI=1S/C10H13NO2S/c1-11-10(12)13-8-5-4-6-9(7-8)14(2)3/h4-7H,1-3H3/p+1
InChIKey
NYKIRPWWXIVWSZ-UHFFFAOYSA-O
Compound name
dimethyl-[3-(methylcarbamoyloxy)phenyl]sulfanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

212.07452 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.08180 144.4
[M+Na]+ 235.06374 151.1
[M-H]- 211.06724 148.6
[M+NH4]+ 230.10834 163.2
[M+K]+ 251.03768 143.7
[M+H-H2O]+ 195.07178 141.0
[M+HCOO]- 257.07272 162.6
[M+CH3COO]- 271.08837 180.6
[M+Na-2H]- 233.04919 148.6
[M]+ 212.07397 145.6
[M]- 212.07507 145.6
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.