CID 123779789

5-methylhex-4-ene-1-thiol

Structural Information

Molecular Formula
C7H14S
SMILES
CC(=CCCCS)C
InChI
InChI=1S/C7H14S/c1-7(2)5-3-4-6-8/h5,8H,3-4,6H2,1-2H3
InChIKey
MLHAFFIXRVBUHY-UHFFFAOYSA-N
Compound name
5-methylhex-4-ene-1-thiol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

130.08162 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 131.08890 129.8
[M+Na]+ 153.07084 140.3
[M+NH4]+ 148.11544 139.0
[M+K]+ 169.04478 131.8
[M-H]- 129.07434 130.3
[M+Na-2H]- 151.05629 133.2
[M]+ 130.08107 131.8
[M]- 130.08217 131.8
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.