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

15
Patents

218.13068 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.137956 153.6
[M+Na]+ 241.119898 159.0
[M-H]- 217.123404 151.4
[M+NH4]+ 236.164503 171.5
[M+K]+ 257.093838 153.5
[M+H-H2O]+ 201.127940 148.5
[M+HCOO]- 263.128881 174.1
[M+CH3COO]- 277.144531 185.5
[M+Na-2H]- 239.105346 154.9
[M]+ 218.13013142 153.8
[M]- 218.13122858 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

patents stripe