CID 5281858

Ginkgolic acid

Structural Information

Molecular Formula
C22H34O3
SMILES
CCCCCC/C=C\CCCCCCCC1=C(C(=CC=C1)O)C(=O)O
InChI
InChI=1S/C22H34O3/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/h7-8,15,17-18,23H,2-6,9-14,16H2,1H3,(H,24,25)/b8-7-
InChIKey
YXHVCZZLWZYHSA-FPLPWBNLSA-N
Compound name
2-hydroxy-6-[(Z)-pentadec-8-enyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

158
References

2987
Patents

346.2508 Da
Monoisotopic Mass

8.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.25808 190.6
[M+Na]+ 369.24002 193.7
[M-H]- 345.24352 189.7
[M+NH4]+ 364.28462 202.8
[M+K]+ 385.21396 187.7
[M+H-H2O]+ 329.24806 183.1
[M+HCOO]- 391.24900 207.8
[M+CH3COO]- 405.26465 212.1
[M+Na-2H]- 367.22547 188.3
[M]+ 346.25025 194.4
[M]- 346.25135 194.4
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