CID 56935989

(e,e)-3,7,11-trimethyl-2,6,10-dodecatrienyl pentanoate

Structural Information

Molecular Formula
C20H34O2
SMILES
CCCCC(=O)OC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C
InChI
InChI=1S/C20H34O2/c1-6-7-14-20(21)22-16-15-19(5)13-9-12-18(4)11-8-10-17(2)3/h10,12,15H,6-9,11,13-14,16H2,1-5H3/b18-12+,19-15+
InChIKey
WLNFGKOLWOXXAF-XYAZGONESA-N
Compound name
[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl] pentanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.2559 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.26318 184.2
[M+Na]+ 329.24512 186.4
[M-H]- 305.24862 182.5
[M+NH4]+ 324.28972 199.3
[M+K]+ 345.21906 182.8
[M+H-H2O]+ 289.25316 177.9
[M+HCOO]- 351.25410 200.8
[M+CH3COO]- 365.26975 210.3
[M+Na-2H]- 327.23057 179.0
[M]+ 306.25535 188.0
[M]- 306.25645 188.0
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.