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

5
Patents

370.2508 Da
Monoisotopic Mass

8.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.25808 198.1
[M+Na]+ 393.24002 207.1
[M+NH4]+ 388.28462 202.1
[M+K]+ 409.21396 198.4
[M-H]- 369.24352 197.2
[M+Na-2H]- 391.22547 199.0
[M]+ 370.25025 198.7
[M]- 370.25135 198.7
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.