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

683
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 133.9
[M+Na]+ 205.01498 139.9
[M-H]- 181.01848 133.3
[M+NH4]+ 200.05958 153.8
[M+K]+ 220.98892 135.9
[M+H-H2O]+ 165.02302 128.3
[M+HCOO]- 227.02396 137.5
[M+CH3COO]- 241.03961 183.9
[M+Na-2H]- 203.00043 131.2
[M]+ 182.02521 135.6
[M]- 182.02631 135.6
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