CID 6449030

169132-67-6

Structural Information

Molecular Formula
C11H20O2S2
SMILES
CCCCCS(=O)/C=C/CS(=O)CC=C
InChI
InChI=1S/C11H20O2S2/c1-3-5-6-9-15(13)11-7-10-14(12)8-4-2/h4,7,11H,2-3,5-6,8-10H2,1H3/b11-7+
InChIKey
FVUVXDWBDFOJTR-YRNVUSSQSA-N
Compound name
1-[(E)-3-prop-2-enylsulfinylprop-1-enyl]sulfinylpentane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

248.09047 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.097746 155.4
[M+Na]+ 271.079688 160.6
[M-H]- 247.083194 154.7
[M+NH4]+ 266.124293 173.0
[M+K]+ 287.053628 155.7
[M+H-H2O]+ 231.087730 149.4
[M+HCOO]- 293.088671 165.1
[M+CH3COO]- 307.104321 192.2
[M+Na-2H]- 269.065136 152.0
[M]+ 248.08992142 159.9
[M]- 248.09101858 159.9
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.