CID 5282816

6,10,14-octadecatrienoic acid

Structural Information

Molecular Formula
C18H30O2
SMILES
CCC/C=C/CC/C=C/CC/C=C/CCCCC(=O)O
InChI
InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h4-5,8-9,12-13H,2-3,6-7,10-11,14-17H2,1H3,(H,19,20)/b5-4+,9-8+,13-12+
InChIKey
QWIGRJKFODXCPT-UJIFBZJGSA-N
Compound name
(6E,10E,14E)-octadeca-6,10,14-trienoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

278.22458 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.231856 174.9
[M+Na]+ 301.213798 177.9
[M-H]- 277.217304 171.8
[M+NH4]+ 296.258403 190.4
[M+K]+ 317.187738 172.6
[M+H-H2O]+ 261.221840 168.7
[M+HCOO]- 323.222781 193.6
[M+CH3COO]- 337.238431 200.0
[M+Na-2H]- 299.199246 173.9
[M]+ 278.22403142 178.0
[M]- 278.22512858 178.0
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

patents stripe