CID 79728

5628-96-6

Structural Information

Molecular Formula

C₅H₁₀O₃S

SMILES

CCOC(=O)OCCS

InChI

InChI=1S/C5H10O3S/c1-2-7-5(6)8-3-4-9/h9H,2-4H2,1H3

InChIKey

MXPRJNWZZIMYNN-UHFFFAOYSA-N

Compound name

ethyl 2-sulfanylethyl carbonate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 32
Patents: 150.03506 Da
Monoisotopic Mass: 1.1
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]+	151.04234	129.3
[M+Na]+	173.02428	137.0
[M-H]-	149.02778	130.1
[M+NH4]+	168.06888	151.2
[M+K]+	188.99822	137.2
[M+H-H2O]+	133.03232	124.5
[M+HCOO]-	195.03326	147.9
[M+CH3COO]-	209.04891	172.6
[M+Na-2H]-	171.00973	132.2
[M]+	150.03451	135.1
[M]-	150.03561	135.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe