CID 480037

O,s-diethyl thiocarbonate

Structural Information

Molecular Formula

C₅H₁₀O₂S

SMILES

CCOC(=O)SCC

InChI

InChI=1S/C5H10O2S/c1-3-7-5(6)8-4-2/h3-4H2,1-2H3

InChIKey

HXNHJWLEAMYJJI-UHFFFAOYSA-N

Compound name

ethyl ethylsulfanylformate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 193
Patents: 134.04015 Da
Monoisotopic Mass: 1.8
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]+	135.04743	126.1
[M+Na]+	157.02937	133.8
[M-H]-	133.03287	126.9
[M+NH4]+	152.07397	148.7
[M+K]+	173.00331	133.6
[M+H-H2O]+	117.03741	121.5
[M+HCOO]-	179.03835	144.4
[M+CH3COO]-	193.05400	170.6
[M+Na-2H]-	155.01482	128.9
[M]+	134.03960	130.4
[M]-	134.04070	130.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.