CID 5319373

D8'-merulinic acid c

Structural Information

Molecular Formula
C24H38O3
SMILES
CCCCCCCC/C=C/CCCCCCCC1=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/h9-10,17,19-20,25H,2-8,11-16,18H2,1H3,(H,26,27)/b10-9+
InChIKey
NRSDQEWAMHRTMK-MDZDMXLPSA-N
Compound name
2-[(E)-heptadec-8-enyl]-6-hydroxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 199.7
[M+Na]+ 397.27132 208.5
[M+NH4]+ 392.31592 204.2
[M+K]+ 413.24526 200.1
[M-H]- 373.27482 199.3
[M+Na-2H]- 395.25677 200.8
[M]+ 374.28155 200.5
[M]- 374.28265 200.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.