CID 43579

61197-09-9

Structural Information

Molecular Formula

C₈H₁₂OS₂

SMILES

CCCSSC1=C(OC=C1)C

InChI

InChI=1S/C8H12OS2/c1-3-6-10-11-8-4-5-9-7(8)2/h4-5H,3,6H2,1-2H3

InChIKey

YFPPCUTVJGGSQC-UHFFFAOYSA-N

Compound name

2-methyl-3-(propyldisulfanyl)furan

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 0
References: 62
Patents: 188.03296 Da
Monoisotopic Mass: 2.8
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	136.7
[M+Na]+	211.02218	146.3
[M-H]-	187.02568	141.6
[M+NH4]+	206.06678	158.3
[M+K]+	226.99612	144.2
[M+H-H2O]+	171.03022	132.1
[M+HCOO]-	233.03116	151.0
[M+CH3COO]-	247.04681	180.4
[M+Na-2H]-	209.00763	137.4
[M]+	188.03241	142.4
[M]-	188.03351	142.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe