CID 18185507

1-(1-sulfanylpropylsulfanyl)propane-1-thiol

Structural Information

Molecular Formula
C6H14S3
SMILES
CCC(S)SC(CC)S
InChI
InChI=1S/C6H14S3/c1-3-5(7)9-6(8)4-2/h5-8H,3-4H2,1-2H3
InChIKey
MPDULAQZHPFPOG-UHFFFAOYSA-N
Compound name
1-(1-sulfanylpropylsulfanyl)propane-1-thiol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

630
Patents

182.02576 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.03304 136.0
[M+Na]+ 205.01498 144.2
[M+NH4]+ 200.05958 145.4
[M+K]+ 220.98892 134.1
[M-H]- 181.01848 136.8
[M+Na-2H]- 203.00043 137.1
[M]+ 182.02521 138.7
[M]- 182.02631 138.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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