CID 56935988

We(12:3(2e,6e,10e)(3me,7me,11me)/4:0(3me))

Structural Information

Molecular Formula
C20H34O2
SMILES
CC(C)CC(=O)OC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C
InChI
InChI=1S/C20H34O2/c1-16(2)9-7-10-18(5)11-8-12-19(6)13-14-22-20(21)15-17(3)4/h9,11,13,17H,7-8,10,12,14-15H2,1-6H3/b18-11+,19-13+
InChIKey
BZQKWZWRJMKCNP-NWLVNBMCSA-N
Compound name
[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl] 3-methylbutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

306.2559 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.26318 183.8
[M+Na]+ 329.24512 185.8
[M-H]- 305.24862 182.2
[M+NH4]+ 324.28972 198.8
[M+K]+ 345.21906 182.8
[M+H-H2O]+ 289.25316 177.7
[M+HCOO]- 351.25410 199.5
[M+CH3COO]- 365.26975 211.1
[M+Na-2H]- 327.23057 177.5
[M]+ 306.25535 187.0
[M]- 306.25645 187.0
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.