CID 52921804

19z,22z,25z,28z-tetratriacontatetraenoic acid

Structural Information

Molecular Formula
C34H60O2
SMILES
CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCCCCCCC(=O)O
InChI
InChI=1S/C34H60O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34(35)36/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-33H2,1H3,(H,35,36)/b7-6-,10-9-,13-12-,16-15-
InChIKey
FFLHEAAGYSHPEZ-DOFZRALJSA-N
Compound name
(19Z,22Z,25Z,28Z)-tetratriaconta-19,22,25,28-tetraenoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

500.45932 Da
Monoisotopic Mass

13.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 501.46660 236.7
[M+Na]+ 523.44854 243.7
[M-H]- 499.45204 220.4
[M+NH4]+ 518.49314 234.1
[M+K]+ 539.42248 242.5
[M+H-H2O]+ 483.45658 235.4
[M+HCOO]- 545.45752 246.1
[M+CH3COO]- 559.47317 245.8
[M+Na-2H]- 521.43399 222.5
[M]+ 500.45877 235.6
[M]- 500.45987 235.6
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.