CID 3024423

Dtxsid901289426

Structural Information

Molecular Formula
C24H38O2
SMILES
CCC=CCCC=CCC=CCCC=CCCC=CCCC(=O)OCC
InChI
InChI=1S/C24H38O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24(25)26-4-2/h5-6,9-10,12-13,16-17,20-21H,3-4,7-8,11,14-15,18-19,22-23H2,1-2H3
InChIKey
BKTFPFLATXHRMR-UHFFFAOYSA-N
Compound name
ethyl docosa-4,8,12,15,19-pentaenoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

358.28717 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.294446 197.9
[M+Na]+ 381.276388 199.7
[M-H]- 357.279894 195.3
[M+NH4]+ 376.320993 211.0
[M+K]+ 397.250328 192.5
[M+H-H2O]+ 341.284430 190.7
[M+HCOO]- 403.285371 216.6
[M+CH3COO]- 417.301021 216.9
[M+Na-2H]- 379.261836 194.4
[M]+ 358.28662142 203.7
[M]- 358.28771858 203.7
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.