CID 131839750

12z,15z,18z-tetracosatrienoic acid

Structural Information

Molecular Formula
C24H42O2
SMILES
CCCCC/C=C\C/C=C\C/C=C\CCCCCCCCCCC(=O)O
InChI
InChI=1S/C24H42O2/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/h6-7,9-10,12-13H,2-5,8,11,14-23H2,1H3,(H,25,26)/b7-6-,10-9-,13-12-
InChIKey
CBYBSPWYAMMHKL-QNEBEIHSSA-N
Compound name
(12Z,15Z,18Z)-tetracosa-12,15,18-trienoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

362.31848 Da
Monoisotopic Mass

8.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.32576 201.2
[M+Na]+ 385.30770 201.7
[M-H]- 361.31120 197.0
[M+NH4]+ 380.35230 213.3
[M+K]+ 401.28164 194.9
[M+H-H2O]+ 345.31574 193.9
[M+HCOO]- 407.31668 217.9
[M+CH3COO]- 421.33233 217.9
[M+Na-2H]- 383.29315 197.1
[M]+ 362.31793 206.7
[M]- 362.31903 206.7
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.