CID 101170776

8-hydroxy-3z,5z-tetradecadienoic acid

Structural Information

Molecular Formula
C14H24O3
SMILES
CCCCCCC(C/C=C\C=C/CC(=O)O)O
InChI
InChI=1S/C14H24O3/c1-2-3-4-7-10-13(15)11-8-5-6-9-12-14(16)17/h5-6,8-9,13,15H,2-4,7,10-12H2,1H3,(H,16,17)/b8-5-,9-6-
InChIKey
URAJSOLJUHSVKY-VVRUXRSYSA-N
Compound name
(3Z,5Z)-8-hydroxytetradeca-3,5-dienoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

240.17255 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.17983 162.4
[M+Na]+ 263.16177 166.0
[M-H]- 239.16527 158.6
[M+NH4]+ 258.20637 178.6
[M+K]+ 279.13571 162.4
[M+H-H2O]+ 223.16981 157.0
[M+HCOO]- 285.17075 179.9
[M+CH3COO]- 299.18640 189.6
[M+Na-2H]- 261.14722 161.7
[M]+ 240.17200 163.7
[M]- 240.17310 163.7
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

No patent data available for this compound.