CID 157010328

E-10 devinylajoene

Structural Information

Molecular Formula
C7H12OS3
SMILES
CSS/C=C/C[S@@](=O)CC=C
InChI
InChI=1S/C7H12OS3/c1-3-6-11(8)7-4-5-10-9-2/h3-5H,1,6-7H2,2H3/b5-4+/t11-/m0/s1
InChIKey
AHJWMSQZOWKKJQ-ZWNMCFTASA-N
Compound name
(E)-1-(methyldisulfanyl)-3-[(S)-prop-2-enylsulfinyl]prop-1-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

208.00504 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.01232 144.2
[M+Na]+ 230.99426 152.2
[M+NH4]+ 226.03886 152.3
[M+K]+ 246.96820 141.1
[M-H]- 206.99776 144.0
[M+Na-2H]- 228.97971 144.5
[M]+ 208.00449 146.4
[M]- 208.00559 146.4
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.