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: 8
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]+	163.078736	134.8
[M+Na]+	185.060678	141.5
[M-H]-	161.064184	135.1
[M+NH4]+	180.105283	156.1
[M+K]+	201.034618	140.7
[M+H-H2O]+	145.068720	129.7
[M+HCOO]-	207.069661	152.4
[M+CH3COO]-	221.085311	178.0
[M+Na-2H]-	183.046126	136.6
[M]+	162.07091142	140.0
[M]-	162.07200858	140.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe