CID 167753

Empc

Structural Information

Molecular Formula

C₁₀H₁₃NO₂S

SMILES

CCSC1=CC=C(C=C1)OC(=O)NC

InChI

InChI=1S/C10H13NO2S/c1-3-14-9-6-4-8(5-7-9)13-10(12)11-2/h4-7H,3H2,1-2H3,(H,11,12)

InChIKey

OZJCQBUSEOVJOW-UHFFFAOYSA-N

Compound name

(4-ethylsulfanylphenyl) N-methylcarbamate

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 0
References: 4223
Patents: 211.0667 Da
Monoisotopic Mass: 2.3
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]+	212.07398	145.7
[M+Na]+	234.05592	156.7
[M+NH4]+	229.10052	154.1
[M+K]+	250.02986	148.7
[M-H]-	210.05942	148.1
[M+Na-2H]-	232.04137	151.5
[M]+	211.06615	148.3
[M]-	211.06725	148.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe