CID 6505860

(4e,8e)-5,9,13-trimethyltetradeca-4,8,12-trienoic acid

Structural Information

Molecular Formula
C17H28O2
SMILES
CC(=CCC/C(=C/CC/C(=C/CCC(=O)O)/C)/C)C
InChI
InChI=1S/C17H28O2/c1-14(2)8-5-9-15(3)10-6-11-16(4)12-7-13-17(18)19/h8,10,12H,5-7,9,11,13H2,1-4H3,(H,18,19)/b15-10+,16-12+
InChIKey
VOKDWPMRYSKGTB-NCZFFCEISA-N
Compound name
(4E,8E)-5,9,13-trimethyltetradeca-4,8,12-trienoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

131
Patents

264.20892 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.216196 171.0
[M+Na]+ 287.198138 173.9
[M-H]- 263.201644 168.4
[M+NH4]+ 282.242743 186.9
[M+K]+ 303.172078 170.2
[M+H-H2O]+ 247.206180 165.5
[M+HCOO]- 309.207121 187.1
[M+CH3COO]- 323.222771 199.4
[M+Na-2H]- 285.183586 166.8
[M]+ 264.20837142 171.8
[M]- 264.20946858 171.8
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