CID 62131

Methyl furfuryl disulfide

Structural Information

Molecular Formula
C6H8OS2
SMILES
CSSCC1=CC=CO1
InChI
InChI=1S/C6H8OS2/c1-8-9-5-6-3-2-4-7-6/h2-4H,5H2,1H3
InChIKey
CLSLQQCDHOZMDT-UHFFFAOYSA-N
Compound name
2-[(methyldisulfanyl)methyl]furan
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

451
Patents

160.00166 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.00894 130.1
[M+Na]+ 182.99088 141.2
[M+NH4]+ 178.03548 140.3
[M+K]+ 198.96482 133.0
[M-H]- 158.99438 133.9
[M+Na-2H]- 180.97633 134.4
[M]+ 160.00111 133.8
[M]- 160.00221 133.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe