CID 6449028

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

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]+ 235.08211 151.2
[M+Na]+ 257.06405 156.9
[M-H]- 233.06755 150.6
[M+NH4]+ 252.10865 169.4
[M+K]+ 273.03799 152.2
[M+H-H2O]+ 217.07209 145.3
[M+HCOO]- 279.07303 161.2
[M+CH3COO]- 293.08868 189.3
[M+Na-2H]- 255.04950 148.2
[M]+ 234.07428 155.3
[M]- 234.07538 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.