CID 526616

Furfuryl 2-methyl-3-furyl disulfide

Structural Information

Molecular Formula

C₁₀H₁₀O₂S₂

SMILES

CC1=C(C=CO1)SSCC2=CC=CO2

InChI

InChI=1S/C10H10O2S2/c1-8-10(4-6-11-8)14-13-7-9-3-2-5-12-9/h2-6H,7H2,1H3

InChIKey

FVCZDGBJCOHRKY-UHFFFAOYSA-N

Compound name

3-(furan-2-ylmethyldisulfanyl)-2-methylfuran

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 0
References: 36
Patents: 226.01222 Da
Monoisotopic Mass: 2.5
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]+	227.01950	145.6
[M+Na]+	249.00144	158.2
[M+NH4]+	244.04604	155.4
[M+K]+	264.97538	151.5
[M-H]-	225.00494	152.2
[M+Na-2H]-	246.98689	151.0
[M]+	226.01167	150.4
[M]-	226.01277	150.4

Literature stripe

literature stripe

Patent stripe

patents stripe