CID 528713

Methyl 2-propenyl pentasulfide

Structural Information

Molecular Formula
C4H8S5
SMILES
CSSSSSCC=C
InChI
InChI=1S/C4H8S5/c1-3-4-6-8-9-7-5-2/h3H,1,4H2,2H3
InChIKey
BFVOYECMMKLFQJ-UHFFFAOYSA-N
Compound name
3-(methylpentasulfanyl)prop-1-ene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

24
Patents

215.92296 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.93024 145.0
[M+Na]+ 238.91218 151.7
[M-H]- 214.91568 141.8
[M+NH4]+ 233.95678 160.9
[M+K]+ 254.88612 140.8
[M+H-H2O]+ 198.92022 138.5
[M+HCOO]- 260.92116 138.8
[M+CH3COO]- 274.93681 190.2
[M+Na-2H]- 236.89763 143.4
[M]+ 215.92241 140.1
[M]- 215.92351 140.1
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