CID 85752103

Methyl 1-(2-propenylsulfinyl)propyl disulfide

Structural Information

Molecular Formula
C7H14OS3
SMILES
CCC(SSC)S(=O)CC=C
InChI
InChI=1S/C7H14OS3/c1-4-6-11(8)7(5-2)10-9-3/h4,7H,1,5-6H2,2-3H3
InChIKey
GAWXJHIAHXEHDI-UHFFFAOYSA-N
Compound name
1-(methyldisulfanyl)-1-prop-2-enylsulfinylpropane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

210.02068 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.02796 141.5
[M+Na]+ 233.00990 147.5
[M-H]- 209.01340 140.6
[M+NH4]+ 228.05450 160.1
[M+K]+ 248.98384 142.2
[M+H-H2O]+ 193.01794 135.7
[M+HCOO]- 255.01888 145.4
[M+CH3COO]- 269.03453 186.8
[M+Na-2H]- 230.99535 138.5
[M]+ 210.02013 143.6
[M]- 210.02123 143.6
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.