CID 15743318

Furfuryl propyl disulfide

Structural Information

Molecular Formula

C₈H₁₂OS₂

SMILES

CCCSSCC1=CC=CO1

InChI

InChI=1S/C8H12OS2/c1-2-6-10-11-7-8-4-3-5-9-8/h3-5H,2,6-7H2,1H3

InChIKey

YCXWJNAAXGVFED-UHFFFAOYSA-N

Compound name

2-[(propyldisulfanyl)methyl]furan

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 0
References: 45
Patents: 188.03296 Da
Monoisotopic Mass: 2.4
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]+	189.04024	137.3
[M+Na]+	211.02218	146.1
[M-H]-	187.02568	141.8
[M+NH4]+	206.06678	158.6
[M+K]+	226.99612	144.0
[M+H-H2O]+	171.03022	132.4
[M+HCOO]-	233.03116	151.6
[M+CH3COO]-	247.04681	179.3
[M+Na-2H]-	209.00763	138.5
[M]+	188.03241	142.6
[M]-	188.03351	142.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe