CID 6439182

124576-72-3

Structural Information

Molecular Formula
C24H34O3
SMILES
CC/C=C/C/C=C/C/C=C/CCCCCCCC1=C(C(=CC=C1)O)C(=O)O
InChI
InChI=1S/C24H34O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21-19-17-20-22(25)23(21)24(26)27/h3-4,6-7,9-10,17,19-20,25H,2,5,8,11-16,18H2,1H3,(H,26,27)/b4-3+,7-6+,10-9+
InChIKey
MBYMHCHZLAJVRK-IUQGRGSQSA-N
Compound name
2-[(8E,11E,14E)-heptadeca-8,11,14-trienyl]-6-hydroxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

3
Patents

370.2508 Da
Monoisotopic Mass

8.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.258076 196.9
[M+Na]+ 393.240018 199.8
[M-H]- 369.243524 195.7
[M+NH4]+ 388.284623 208.0
[M+K]+ 409.213958 192.2
[M+H-H2O]+ 353.248060 189.3
[M+HCOO]- 415.249001 213.8
[M+CH3COO]- 429.264651 215.2
[M+Na-2H]- 391.225466 193.5
[M]+ 370.25025142 199.8
[M]- 370.25134858 199.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.