CID 3019930

84522-35-0

Structural Information

Molecular Formula

C₇H₁₄O₂S

SMILES

COC(CSCC=C)OC

InChI

InChI=1S/C7H14O2S/c1-4-5-10-6-7(8-2)9-3/h4,7H,1,5-6H2,2-3H3

InChIKey

JGGFJNSRWHKYOY-UHFFFAOYSA-N

Compound name

3-(2,2-dimethoxyethylsulfanyl)prop-1-ene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 162.07146 Da
Monoisotopic Mass: 1.4
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]+	163.07874	136.0
[M+Na]+	185.06068	145.4
[M+NH4]+	180.10528	143.9
[M+K]+	201.03462	138.0
[M-H]-	161.06418	135.3
[M+Na-2H]-	183.04613	138.4
[M]+	162.07091	137.4
[M]-	162.07201	137.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe