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
3
Annotation Hits

250
References

1916
Patents

342.21948 Da
Monoisotopic Mass

7.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.22676 187.8
[M+Na]+ 365.20870 191.5
[M-H]- 341.21220 187.0
[M+NH4]+ 360.25330 200.0
[M+K]+ 381.18264 184.3
[M+H-H2O]+ 325.21674 180.5
[M+HCOO]- 387.21768 205.4
[M+CH3COO]- 401.23333 209.9
[M+Na-2H]- 363.19415 185.5
[M]+ 342.21893 190.1
[M]- 342.22003 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

literature stripe

Patent stripe

patents stripe