CID 59267

102244-23-5

Structural Information

Molecular Formula
C20H36OS
SMILES
CCCCCCCCCCSCC(C)C(C)(C#CC(=C)C)O
InChI
InChI=1S/C20H36OS/c1-6-7-8-9-10-11-12-13-16-22-17-19(4)20(5,21)15-14-18(2)3/h19,21H,2,6-13,16-17H2,1,3-5H3
InChIKey
HBTWZHREWLKKRH-UHFFFAOYSA-N
Compound name
1-decylsulfanyl-2,3,6-trimethylhept-6-en-4-yn-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

324.2487 Da
Monoisotopic Mass

7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.25598 176.4
[M+Na]+ 347.23792 183.1
[M+NH4]+ 342.28252 178.9
[M+K]+ 363.21186 172.5
[M-H]- 323.24142 166.8
[M+Na-2H]- 345.22337 173.6
[M]+ 324.24815 174.1
[M]- 324.24925 174.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.