CID 171119096

5z,8z,11z,14z,17z-octadecapentaenoic acid

Structural Information

Molecular Formula
C18H26O2
SMILES
C=CC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O
InChI
InChI=1S/C18H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2,4-5,7-8,10-11,13-14H,1,3,6,9,12,15-17H2,(H,19,20)/b5-4-,8-7-,11-10-,14-13-
InChIKey
QGOBAKWVSYWVNA-GJDCDIHCSA-N
Compound name
(5Z,8Z,11Z,14Z)-octadeca-5,8,11,14,17-pentaenoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.19327 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.20055 171.5
[M+Na]+ 297.18249 175.2
[M-H]- 273.18599 168.6
[M+NH4]+ 292.22709 187.1
[M+K]+ 313.15643 168.7
[M+H-H2O]+ 257.19053 165.6
[M+HCOO]- 319.19147 190.7
[M+CH3COO]- 333.20712 197.6
[M+Na-2H]- 295.16794 170.7
[M]+ 274.19272 173.2
[M]- 274.19382 173.2
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.