CID 171117766

15z-insignoic acid d

Structural Information

Molecular Formula
C26H44O3
SMILES
CCCCCCCC/C=C\CCCCCCCC/C=C/C(=O)/C=C/C(=O)OCC
InChI
InChI=1S/C26H44O3/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-25(27)23-24-26(28)29-4-2/h11-12,21-24H,3-10,13-20H2,1-2H3/b12-11-,22-21+,24-23+
InChIKey
DUZDHBHWPOMEBU-LFUDRLCBSA-N
Compound name
ethyl (2E,5E,15Z)-4-oxotetracosa-2,5,15-trienoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

404.32904 Da
Monoisotopic Mass

9.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.33632 211.7
[M+Na]+ 427.31826 211.9
[M-H]- 403.32176 208.6
[M+NH4]+ 422.36286 213.1
[M+K]+ 443.29220 205.8
[M+H-H2O]+ 387.32630 203.8
[M+HCOO]- 449.32724 222.7
[M+CH3COO]- 463.34289 227.5
[M+Na-2H]- 425.30371 205.9
[M]+ 404.32849 219.9
[M]- 404.32959 219.9
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.