CID 47649

Methyl 2-methyl-3-furyl disulfide

Structural Information

Molecular Formula
C6H8OS2
SMILES
CC1=C(C=CO1)SSC
InChI
InChI=1S/C6H8OS2/c1-5-6(9-8-2)3-4-7-5/h3-4H,1-2H3
InChIKey
SRUTWBWLFKSTIS-UHFFFAOYSA-N
Compound name
2-methyl-3-(methyldisulfanyl)furan
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

1
References

318
Patents

160.00166 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.00894 128.0
[M+Na]+ 182.99088 138.4
[M-H]- 158.99438 133.2
[M+NH4]+ 178.03548 150.7
[M+K]+ 198.96482 136.8
[M+H-H2O]+ 142.99892 123.7
[M+HCOO]- 204.99986 142.8
[M+CH3COO]- 219.01551 174.5
[M+Na-2H]- 180.97633 129.6
[M]+ 160.00111 132.9
[M]- 160.00221 132.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.