CID 6449030

1-((3-(2-propenylsulfinyl)-1-propenyl)sulfinyl)pentane

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]+ 249.09775 155.4
[M+Na]+ 271.07969 160.6
[M-H]- 247.08319 154.7
[M+NH4]+ 266.12429 173.0
[M+K]+ 287.05363 155.7
[M+H-H2O]+ 231.08773 149.4
[M+HCOO]- 293.08867 165.1
[M+CH3COO]- 307.10432 192.2
[M+Na-2H]- 269.06514 152.0
[M]+ 248.08992 159.9
[M]- 248.09102 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.