CID 10977885

(e)-2-propenyl [3-(2-propenylthio)-2-propenyl] sulfate

Structural Information

Molecular Formula
C9H14O4S2
SMILES
C=CCOS(=O)(=O)OC/C=C/SCC=C
InChI
InChI=1S/C9H14O4S2/c1-3-6-12-15(10,11)13-7-5-9-14-8-4-2/h3-5,9H,1-2,6-8H2/b9-5+
InChIKey
LRKSHTQJEZSHGG-WEVVVXLNSA-N
Compound name
prop-2-enyl [(E)-3-prop-2-enylsulfanylprop-2-enyl] sulfate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

250.03336 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.04064 154.3
[M+Na]+ 273.02258 161.2
[M-H]- 249.02608 153.8
[M+NH4]+ 268.06718 171.7
[M+K]+ 288.99652 156.3
[M+H-H2O]+ 233.03062 148.6
[M+HCOO]- 295.03156 166.1
[M+CH3COO]- 309.04721 188.0
[M+Na-2H]- 271.00803 154.9
[M]+ 250.03281 160.7
[M]- 250.03391 160.7
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

No patent data available for this compound.