CID 3019930

3-((2,2-dimethoxyethyl)thio)propene

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	134.8
[M+Na]+	185.06068	141.5
[M-H]-	161.06418	135.1
[M+NH4]+	180.10528	156.1
[M+K]+	201.03462	140.7
[M+H-H2O]+	145.06872	129.7
[M+HCOO]-	207.06966	152.4
[M+CH3COO]-	221.08531	178.0
[M+Na-2H]-	183.04613	136.6
[M]+	162.07091	140.0
[M]-	162.07201	140.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe