CID 52921865

Axillarenic acid

Structural Information

Molecular Formula
C24H46O4
SMILES
CCCCCCCCCCCC(CC(/C=C/CCCCCCCC(=O)O)O)O
InChI
InChI=1S/C24H46O4/c1-2-3-4-5-6-7-9-12-15-18-22(25)21-23(26)19-16-13-10-8-11-14-17-20-24(27)28/h16,19,22-23,25-26H,2-15,17-18,20-21H2,1H3,(H,27,28)/b19-16+
InChIKey
AKVZFALHMAASOY-KNTRCKAVSA-N
Compound name
(E)-11,13-dihydroxytetracos-9-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

48
Patents

398.3396 Da
Monoisotopic Mass

7.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.34688 211.4
[M+Na]+ 421.32882 209.6
[M-H]- 397.33232 204.2
[M+NH4]+ 416.37342 206.6
[M+K]+ 437.30276 204.4
[M+H-H2O]+ 381.33686 204.0
[M+HCOO]- 443.33780 212.6
[M+CH3COO]- 457.35345 221.1
[M+Na-2H]- 419.31427 203.8
[M]+ 398.33905 216.0
[M]- 398.34015 216.0
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

patents stripe