CID 61979

38325-25-6

Structural Information

Molecular Formula

C₁₀H₁₆O₂S₂

SMILES

CC1C2(CCO1)SC3CCOC3(S2)C

InChI

InChI=1S/C10H16O2S2/c1-7-10(4-6-11-7)13-8-3-5-12-9(8,2)14-10/h7-8H,3-6H2,1-2H3

InChIKey

LGPJANFPSFABDB-UHFFFAOYSA-N

Compound name

2',3a-dimethylspiro[6,6a-dihydro-5H-[1,3]dithiolo[4,5-b]furan-2,3'-oxolane]

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 0
References: 86
Patents: 232.05917 Da
Monoisotopic Mass: 2.1
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	147.7
[M+Na]+	255.04839	154.9
[M+NH4]+	250.09299	160.8
[M+K]+	271.02233	148.2
[M-H]-	231.05189	152.4
[M+Na-2H]-	253.03384	150.9
[M]+	232.05862	151.3
[M]-	232.05972	151.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe