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

382
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

literature stripe

Patent stripe

patents stripe