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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	213.081796	144.4
[M+Na]+	235.063738	151.1
[M-H]-	211.067244	148.6
[M+NH4]+	230.108343	163.2
[M+K]+	251.037678	143.7
[M+H-H2O]+	195.071780	141.0
[M+HCOO]-	257.072721	162.6
[M+CH3COO]-	271.088371	180.6
[M+Na-2H]-	233.049186	148.6
[M]+	212.07397142	145.6
[M]-	212.07506858	145.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.