CID 6438002

Geranylthiol acetate

Structural Information

Molecular Formula
C12H20OS
SMILES
CC(=CCC/C(=C/CSC(=O)C)/C)C
InChI
InChI=1S/C12H20OS/c1-10(2)6-5-7-11(3)8-9-14-12(4)13/h6,8H,5,7,9H2,1-4H3/b11-8+
InChIKey
HRPHTQJOZFASCE-DHZHZOJOSA-N
Compound name
S-[(2E)-3,7-dimethylocta-2,6-dienyl] ethanethioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

212.12349 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.13077 154.4
[M+Na]+ 235.11271 162.7
[M+NH4]+ 230.15731 161.4
[M+K]+ 251.08665 155.0
[M-H]- 211.11621 153.1
[M+Na-2H]- 233.09816 155.1
[M]+ 212.12294 155.4
[M]- 212.12404 155.4
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.