CID 20475939

1-(propylthio)1-propanethiol

Structural Information

Molecular Formula
C6H14S2
SMILES
CCCSC(CC)S
InChI
InChI=1S/C6H14S2/c1-3-5-8-6(7)4-2/h6-7H,3-5H2,1-2H3
InChIKey
STQMMGQDGYHHII-UHFFFAOYSA-N
Compound name
1-propylsulfanylpropane-1-thiol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

65
Patents

150.0537 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.06098 131.3
[M+Na]+ 173.04292 141.0
[M+NH4]+ 168.08752 141.0
[M+K]+ 189.01686 131.3
[M-H]- 149.04642 132.3
[M+Na-2H]- 171.02837 133.9
[M]+ 150.05315 133.9
[M]- 150.05425 133.9
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