CID 22383

Dipropyl trisulfide

Structural Information

Molecular Formula
C6H14S3
SMILES
CCCSSSCCC
InChI
InChI=1S/C6H14S3/c1-3-5-7-9-8-6-4-2/h3-6H2,1-2H3
InChIKey
GAZXPZNJTZIGBO-UHFFFAOYSA-N
Compound name
1-(propyltrisulfanyl)propane
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

7
References

557
Patents

182.02576 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.03304 133.1
[M+Na]+ 205.01498 139.9
[M-H]- 181.01848 132.5
[M+NH4]+ 200.05958 153.2
[M+K]+ 220.98892 135.0
[M+H-H2O]+ 165.02302 127.6
[M+HCOO]- 227.02396 139.0
[M+CH3COO]- 241.03961 182.4
[M+Na-2H]- 203.00043 132.1
[M]+ 182.02521 135.9
[M]- 182.02631 135.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe