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

42
Patents

398.3396 Da
Monoisotopic Mass

7.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.346876 211.4
[M+Na]+ 421.328818 209.6
[M-H]- 397.332324 204.2
[M+NH4]+ 416.373423 206.6
[M+K]+ 437.302758 204.4
[M+H-H2O]+ 381.336860 204.0
[M+HCOO]- 443.337801 212.6
[M+CH3COO]- 457.353451 221.1
[M+Na-2H]- 419.314266 203.8
[M]+ 398.33905142 216.0
[M]- 398.34014858 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