CID 11119425

10154-05-9

Structural Information

Molecular Formula
C18H30O2
SMILES
CC(=CCC/C(=C/CC/C(=C/CCC(=O)OC)/C)/C)C
InChI
InChI=1S/C18H30O2/c1-15(2)9-6-10-16(3)11-7-12-17(4)13-8-14-18(19)20-5/h9,11,13H,6-8,10,12,14H2,1-5H3/b16-11+,17-13+
InChIKey
RWFOWORQUNKNLT-IUBLYSDUSA-N
Compound name
methyl (4E,8E)-5,9,13-trimethyltetradeca-4,8,12-trienoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

278.22458 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.23186 174.9
[M+Na]+ 301.21380 177.9
[M-H]- 277.21730 173.7
[M+NH4]+ 296.25840 191.2
[M+K]+ 317.18774 175.0
[M+H-H2O]+ 261.22184 169.1
[M+HCOO]- 323.22278 192.3
[M+CH3COO]- 337.23843 204.3
[M+Na-2H]- 299.19925 170.9
[M]+ 278.22403 178.1
[M]- 278.22513 178.1
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