CID 6436109

Propane, 1,1'-((1e)-1,2-ethenediylbis(thio))bis-

Structural Information

Molecular Formula
C8H16S2
SMILES
CCCS/C=C/SCCC
InChI
InChI=1S/C8H16S2/c1-3-5-9-7-8-10-6-4-2/h7-8H,3-6H2,1-2H3/b8-7+
InChIKey
WERZWRCQQURDDW-BQYQJAHWSA-N
Compound name
1-[(E)-2-propylsulfanylethenyl]sulfanylpropane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

176.06934 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.07662 136.0
[M+Na]+ 199.05856 142.7
[M-H]- 175.06206 135.9
[M+NH4]+ 194.10316 157.0
[M+K]+ 215.03250 138.9
[M+H-H2O]+ 159.06660 130.7
[M+HCOO]- 221.06754 147.8
[M+CH3COO]- 235.08319 180.8
[M+Na-2H]- 197.04401 135.8
[M]+ 176.06879 139.9
[M]- 176.06989 139.9
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

patents stripe