CID 11824131

Dtxsid10872876

Structural Information

Molecular Formula
C22H32O3
SMILES
CCC/C=C\C/C=C\CCCCCCCC1=C(C(=CC=C1)O)C(=O)O
InChI
InChI=1S/C22H32O3/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/h4-5,7-8,15,17-18,23H,2-3,6,9-14,16H2,1H3,(H,24,25)/b5-4-,8-7-
InChIKey
KAOMOVYHGLSFHQ-UTOQUPLUSA-N
Compound name
2-hydroxy-6-[(8Z,11Z)-pentadeca-8,11-dienyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

3
References

4307
Patents

344.23514 Da
Monoisotopic Mass

7.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.24242 189.4
[M+Na]+ 367.22436 192.8
[M-H]- 343.22786 188.5
[M+NH4]+ 362.26896 201.6
[M+K]+ 383.19830 186.2
[M+H-H2O]+ 327.23240 182.0
[M+HCOO]- 389.23334 206.8
[M+CH3COO]- 403.24899 210.7
[M+Na-2H]- 365.20981 187.0
[M]+ 344.23459 192.4
[M]- 344.23569 192.4
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