CID 5469634

Ginkgolic acid c17:1

Structural Information

Molecular Formula
C24H38O3
SMILES
CCCCCC/C=C\CCCCCCCCCC1=C(C(=CC=C1)O)C(=O)O
InChI
InChI=1S/C24H38O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21-19-17-20-22(25)23(21)24(26)27/h7-8,17,19-20,25H,2-6,9-16,18H2,1H3,(H,26,27)/b8-7-
InChIKey
MBYNDKVOZOAOIS-FPLPWBNLSA-N
Compound name
2-[(Z)-heptadec-10-enyl]-6-hydroxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

5
References

88
Patents

374.2821 Da
Monoisotopic Mass

9.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.28938 199.5
[M+Na]+ 397.27132 201.6
[M-H]- 373.27482 198.1
[M+NH4]+ 392.31592 210.4
[M+K]+ 413.24526 195.2
[M+H-H2O]+ 357.27936 191.6
[M+HCOO]- 419.28030 216.0
[M+CH3COO]- 433.29595 218.0
[M+Na-2H]- 395.25677 196.1
[M]+ 374.28155 204.0
[M]- 374.28265 204.0
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