CID 5352793

Di-1-propenyl trisulfide

Structural Information

Molecular Formula
C6H10S3
SMILES
C/C=C/SSS/C=C/C
InChI
InChI=1S/C6H10S3/c1-3-5-7-9-8-6-4-2/h3-6H,1-2H3/b5-3+,6-4+
InChIKey
RWAJLLGQYHTAMT-GGWOSOGESA-N
Compound name
(E)-1-[[(E)-prop-1-enyl]trisulfanyl]prop-1-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

177.99446 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.001736 132.6
[M+Na]+ 200.983678 140.2
[M-H]- 176.987184 132.2
[M+NH4]+ 196.028283 152.9
[M+K]+ 216.957618 134.0
[M+H-H2O]+ 160.991720 127.3
[M+HCOO]- 222.992661 138.9
[M+CH3COO]- 237.008311 179.3
[M+Na-2H]- 198.969126 131.5
[M]+ 177.99391142 134.0
[M]- 177.99500858 134.0
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