CID 5388781

Anacardic acid c15:3

Structural Information

Molecular Formula
C22H30O3
SMILES
C=CC/C=C/C/C=C/CCCCCCCC1=C(C(=CC=C1)O)C(=O)O
InChI
InChI=1S/C22H30O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-17-15-18-20(23)21(19)22(24)25/h2,4-5,7-8,15,17-18,23H,1,3,6,9-14,16H2,(H,24,25)/b5-4+,8-7+
InChIKey
QUVGEKPNSCFQIR-AOSYACOCSA-N
Compound name
2-hydroxy-6-[(8E,11E)-pentadeca-8,11,14-trienyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

252
References

2507
Patents

342.21948 Da
Monoisotopic Mass

7.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.226756 187.8
[M+Na]+ 365.208698 191.5
[M-H]- 341.212204 187.0
[M+NH4]+ 360.253303 200.0
[M+K]+ 381.182638 184.3
[M+H-H2O]+ 325.216740 180.5
[M+HCOO]- 387.217681 205.4
[M+CH3COO]- 401.233331 209.9
[M+Na-2H]- 363.194146 185.5
[M]+ 342.21893142 190.1
[M]- 342.22002858 190.1
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.