CID 56940

Brn 5727575

Structural Information

Molecular Formula

C₉H₁₈O₂S

SMILES

CCSCC(C)C1(OCCO1)C

InChI

InChI=1S/C9H18O2S/c1-4-12-7-8(2)9(3)10-5-6-11-9/h8H,4-7H2,1-3H3

InChIKey

YRUSLUOOZDUFQT-UHFFFAOYSA-N

Compound name

2-(1-ethylsulfanylpropan-2-yl)-2-methyl-1,3-dioxolane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 190.10275 Da
Monoisotopic Mass: 1.9
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]+	191.11003	143.0
[M+Na]+	213.09197	152.1
[M+NH4]+	208.13657	153.0
[M+K]+	229.06591	145.4
[M-H]-	189.09547	146.6
[M+Na-2H]-	211.07742	146.6
[M]+	190.10220	145.9
[M]-	190.10330	145.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.