CID 5312410

5,7,9,11,13-tetradecapentaenoic acid

Structural Information

Molecular Formula
C14H18O2
SMILES
C=C/C=C/C=C/C=C/C=C/CCCC(=O)O
InChI
InChI=1S/C14H18O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h2-10H,1,11-13H2,(H,15,16)/b4-3+,6-5+,8-7+,10-9+
InChIKey
LQROPCHYRPLGPB-BYFNFPHLSA-N
Compound name
(5E,7E,9E,11E)-tetradeca-5,7,9,11,13-pentaenoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

218.13068 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.13796 153.6
[M+Na]+ 241.11990 159.0
[M-H]- 217.12340 151.4
[M+NH4]+ 236.16450 171.5
[M+K]+ 257.09384 153.5
[M+H-H2O]+ 201.12794 148.5
[M+HCOO]- 263.12888 174.1
[M+CH3COO]- 277.14453 185.5
[M+Na-2H]- 239.10535 154.9
[M]+ 218.13013 153.8
[M]- 218.13123 153.8
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.