CID 3015972

38325-24-5

Structural Information

Molecular Formula

C₁₀H₁₆O₂S₂

SMILES

CC1C(=CCO1)SC2(CCOC2C)S

InChI

InChI=1S/C10H16O2S2/c1-7-9(3-5-11-7)14-10(13)4-6-12-8(10)2/h3,7-8,13H,4-6H2,1-2H3

InChIKey

AGRIHDPBJMXWRQ-UHFFFAOYSA-N

Compound name

2-methyl-3-[(2-methyl-2,5-dihydrofuran-3-yl)sulfanyl]oxolane-3-thiol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 232.05917 Da
Monoisotopic Mass: 1.6
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]+	233.06645	149.1
[M+Na]+	255.04839	158.4
[M+NH4]+	250.09299	160.0
[M+K]+	271.02233	151.3
[M-H]-	231.05189	154.7
[M+Na-2H]-	253.03384	152.9
[M]+	232.05862	153.1
[M]-	232.05972	153.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe