CID 86718786

1,6-octadien-1-ol, 3,7-dimethyl-, 1-acetate, (3s)-

Structural Information

Molecular Formula
C12H20O2
SMILES
C[C@@H](CCC=C(C)C)C=COC(=O)C
InChI
InChI=1S/C12H20O2/c1-10(2)6-5-7-11(3)8-9-14-12(4)13/h6,8-9,11H,5,7H2,1-4H3/t11-/m0/s1
InChIKey
UGXCOBMTQQHYSO-NSHDSACASA-N
Compound name
[(3S)-3,7-dimethylocta-1,6-dienyl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

196.14633 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.15361 149.4
[M+Na]+ 219.13555 158.1
[M+NH4]+ 214.18015 155.6
[M+K]+ 235.10949 152.9
[M-H]- 195.13905 147.5
[M+Na-2H]- 217.12100 150.7
[M]+ 196.14578 149.7
[M]- 196.14688 149.7
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

patents stripe