CID 20216911

(z)-[3-(methylsulfinyl)-1-propenyl] 2-propenyl disulfide

Structural Information

Molecular Formula
C7H12OS3
SMILES
CS(=O)C/C=C/SSCC=C
InChI
InChI=1S/C7H12OS3/c1-3-5-9-10-6-4-7-11(2)8/h3-4,6H,1,5,7H2,2H3/b6-4+
InChIKey
FPQGSXSLZNUUFB-GQCTYLIASA-N
Compound name
(E)-3-methylsulfinyl-1-(prop-2-enyldisulfanyl)prop-1-ene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

5
Patents

208.00504 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.01232 141.0
[M+Na]+ 230.99426 147.7
[M-H]- 206.99776 140.2
[M+NH4]+ 226.03886 159.7
[M+K]+ 246.96820 141.3
[M+H-H2O]+ 191.00230 135.2
[M+HCOO]- 253.00324 146.2
[M+CH3COO]- 267.01889 184.5
[M+Na-2H]- 228.97971 138.8
[M]+ 208.00449 142.8
[M]- 208.00559 142.8
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