CID 6449028

169132-65-4

Structural Information

Molecular Formula
C10H18O2S2
SMILES
CCCCS(=O)/C=C/CS(=O)CC=C
InChI
InChI=1S/C10H18O2S2/c1-3-5-8-14(12)10-6-9-13(11)7-4-2/h4,6,10H,2-3,5,7-9H2,1H3/b10-6+
InChIKey
LGWMIVLKSODPMA-UXBLZVDNSA-N
Compound name
1-[(E)-3-prop-2-enylsulfinylprop-1-enyl]sulfinylbutane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.07483 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.082106 151.2
[M+Na]+ 257.064048 156.9
[M-H]- 233.067554 150.6
[M+NH4]+ 252.108653 169.4
[M+K]+ 273.037988 152.2
[M+H-H2O]+ 217.072090 145.3
[M+HCOO]- 279.073031 161.2
[M+CH3COO]- 293.088681 189.3
[M+Na-2H]- 255.049496 148.2
[M]+ 234.07428142 155.3
[M]- 234.07537858 155.3
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.