CID 167551

Anacardic acid

Structural Information

Molecular Formula
C22H36O3
SMILES
CCCCCCCCCCCCCCCC1=C(C(=CC=C1)O)C(=O)O
InChI
InChI=1S/C22H36O3/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/h15,17-18,23H,2-14,16H2,1H3,(H,24,25)
InChIKey
ADFWQBGTDJIESE-UHFFFAOYSA-N
Compound name
2-hydroxy-6-pentadecylbenzoic acid
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

212
References

3434
Patents

348.26645 Da
Monoisotopic Mass

9.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.27373 191.9
[M+Na]+ 371.25567 194.5
[M-H]- 347.25917 190.9
[M+NH4]+ 366.30027 203.9
[M+K]+ 387.22961 189.2
[M+H-H2O]+ 331.26371 184.3
[M+HCOO]- 393.26465 208.8
[M+CH3COO]- 407.28030 213.5
[M+Na-2H]- 369.24112 189.5
[M]+ 348.26590 196.5
[M]- 348.26700 196.5
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