CID 15540144

O-ethyl s-(2-furylmethyl)thiocarbonate

Structural Information

Molecular Formula

C₈H₁₀O₃S

SMILES

CCOC(=O)SCC1=CC=CO1

InChI

InChI=1S/C8H10O3S/c1-2-10-8(9)12-6-7-4-3-5-11-7/h3-5H,2,6H2,1H3

InChIKey

RPDATXKSJBDCAP-UHFFFAOYSA-N

Compound name

ethyl furan-2-ylmethylsulfanylformate

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 0
References: 32
Patents: 186.03506 Da
Monoisotopic Mass: 2.0
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]+	187.042336	138.9
[M+Na]+	209.024278	147.2
[M-H]-	185.027784	143.7
[M+NH4]+	204.068883	159.9
[M+K]+	224.998218	147.2
[M+H-H2O]+	169.032320	133.8
[M+HCOO]-	231.033261	158.4
[M+CH3COO]-	245.048911	176.8
[M+Na-2H]-	207.009726	141.7
[M]+	186.03451142	144.8
[M]-	186.03560858	144.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe