CID 171117772

17z-insignoic acid e

Structural Information

Molecular Formula
C28H50O4
SMILES
CCCCCC/C=C\CCCCCCCCCCC(CC(=O)/C=C/C(=O)OCC)OCC
InChI
InChI=1S/C28H50O4/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-27(31-5-2)25-26(29)23-24-28(30)32-6-3/h11-12,23-24,27H,4-10,13-22,25H2,1-3H3/b12-11-,24-23+
InChIKey
MGJDUUKLBZLNHH-IOTPHDSWSA-N
Compound name
ethyl (2E,17Z)-6-ethoxy-4-oxotetracosa-2,17-dienoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

450.3709 Da
Monoisotopic Mass

9.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 451.37818 221.8
[M+Na]+ 473.36012 230.4
[M-H]- 449.36362 212.0
[M+NH4]+ 468.40472 226.2
[M+K]+ 489.33406 227.9
[M+H-H2O]+ 433.36816 217.0
[M+HCOO]- 495.36910 230.0
[M+CH3COO]- 509.38475 237.2
[M+Na-2H]- 471.34557 211.2
[M]+ 450.37035 222.9
[M]- 450.37145 222.9
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.