CID 100927

1,3-dioxolane, 4-methyl-2-[2-(methylthio)ethyl]-

Structural Information

Molecular Formula

C₇H₁₄O₂S

SMILES

CC1COC(O1)CCSC

InChI

InChI=1S/C7H14O2S/c1-6-5-8-7(9-6)3-4-10-2/h6-7H,3-5H2,1-2H3

InChIKey

NDGQCQHSMPWESO-UHFFFAOYSA-N

Compound name

4-methyl-2-(2-methylsulfanylethyl)-1,3-dioxolane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 162.07146 Da
Monoisotopic Mass: 1.3
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	133.7
[M+Na]+	185.060678	141.3
[M-H]-	161.064184	138.7
[M+NH4]+	180.105283	154.6
[M+K]+	201.034618	142.6
[M+H-H2O]+	145.068720	129.4
[M+HCOO]-	207.069661	150.4
[M+CH3COO]-	221.085311	175.2
[M+Na-2H]-	183.046126	136.5
[M]+	162.07091142	137.3
[M]-	162.07200858	137.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe