CID 329669

Hormelic acid

Structural Information

Molecular Formula
C20H36O2
SMILES
C1CC(C=C1)CCCCCCCCCCCCCCC(=O)O
InChI
InChI=1S/C20H36O2/c21-20(22)18-12-10-8-6-4-2-1-3-5-7-9-11-15-19-16-13-14-17-19/h13,16,19H,1-12,14-15,17-18H2,(H,21,22)
InChIKey
LKHZDPAUGRFBHR-UHFFFAOYSA-N
Compound name
15-cyclopent-2-en-1-ylpentadecanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

308.27155 Da
Monoisotopic Mass

8.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.27883 185.5
[M+Na]+ 331.26077 186.5
[M-H]- 307.26427 185.0
[M+NH4]+ 326.30537 201.0
[M+K]+ 347.23471 182.1
[M+H-H2O]+ 291.26881 178.1
[M+HCOO]- 353.26975 203.6
[M+CH3COO]- 367.28540 206.1
[M+Na-2H]- 329.24622 182.6
[M]+ 308.27100 188.2
[M]- 308.27210 188.2
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.