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
2
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 196.9
[M+Na]+ 393.24002 199.8
[M-H]- 369.24352 195.7
[M+NH4]+ 388.28462 208.0
[M+K]+ 409.21396 192.2
[M+H-H2O]+ 353.24806 189.3
[M+HCOO]- 415.24900 213.8
[M+CH3COO]- 429.26465 215.2
[M+Na-2H]- 391.22547 193.5
[M]+ 370.25025 199.8
[M]- 370.25135 199.9
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.