CID 5312935

15-oxo-18z-tetracosenoic acid

Structural Information

Molecular Formula
C24H44O3
SMILES
CCCCC/C=C\CCC(=O)CCCCCCCCCCCCCC(=O)O
InChI
InChI=1S/C24H44O3/c1-2-3-4-5-11-14-17-20-23(25)21-18-15-12-9-7-6-8-10-13-16-19-22-24(26)27/h11,14H,2-10,12-13,15-22H2,1H3,(H,26,27)/b14-11-
InChIKey
HPTANBPJENHABK-KAMYIIQDSA-N
Compound name
(Z)-15-oxotetracos-18-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

380.32904 Da
Monoisotopic Mass

8.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.33632 206.2
[M+Na]+ 403.31826 205.9
[M-H]- 379.32176 201.8
[M+NH4]+ 398.36286 205.7
[M+K]+ 419.29220 200.7
[M+H-H2O]+ 363.32630 198.6
[M+HCOO]- 425.32724 215.6
[M+CH3COO]- 439.34289 222.6
[M+Na-2H]- 401.30371 200.8
[M]+ 380.32849 213.3
[M]- 380.32959 213.3
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

No patent data available for this compound.