CID 2468176

153511-18-3

Structural Information

Molecular Formula

C₁₀H₁₁NO₂S

SMILES

CN(C)C(=S)OC1=CC=CC=C1C=O

InChI

InChI=1S/C10H11NO2S/c1-11(2)10(14)13-9-6-4-3-5-8(9)7-12/h3-7H,1-2H3

InChIKey

RJOPOFZNVPIVKV-UHFFFAOYSA-N

Compound name

O-(2-formylphenyl) N,N-dimethylcarbamothioate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 209.05106 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]+	210.05834	143.9
[M+Na]+	232.04028	151.5
[M-H]-	208.04378	149.4
[M+NH4]+	227.08488	163.8
[M+K]+	248.01422	149.9
[M+H-H2O]+	192.04832	137.5
[M+HCOO]-	254.04926	164.1
[M+CH3COO]-	268.06491	189.3
[M+Na-2H]-	230.02573	146.2
[M]+	209.05051	147.9
[M]-	209.05161	147.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe