CID 131752726

1-(methylthio)-1-hexanethiol

Structural Information

Molecular Formula
C7H16S2
SMILES
CCCCCC(S)SC
InChI
InChI=1S/C7H16S2/c1-3-4-5-6-7(8)9-2/h7-8H,3-6H2,1-2H3
InChIKey
RVLJKGCMYBJOLZ-UHFFFAOYSA-N
Compound name
1-methylsulfanylhexane-1-thiol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

164.06934 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.07662 133.0
[M+Na]+ 187.05856 139.4
[M-H]- 163.06206 133.1
[M+NH4]+ 182.10316 154.4
[M+K]+ 203.03250 136.9
[M+H-H2O]+ 147.06660 127.8
[M+HCOO]- 209.06754 143.8
[M+CH3COO]- 223.08319 180.1
[M+Na-2H]- 185.04401 132.2
[M]+ 164.06879 136.6
[M]- 164.06989 136.6
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

No patent data available for this compound.