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

8
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

literature stripe

Patent stripe

patents stripe