CID 131751255

Dimethyl 3-methoxy-4-oxo-5-(8,11,14-pentadecatrienyl)-2-hexenedioate

Structural Information

Molecular Formula
C24H36O6
SMILES
CO/C(=C/C(=O)OC)/C(=O)C(CCCCCCC/C=C/C/C=C/CC=C)C(=O)OC
InChI
InChI=1S/C24H36O6/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20(24(27)30-4)23(26)21(28-2)19-22(25)29-3/h5,7-8,10-11,19-20H,1,6,9,12-18H2,2-4H3/b8-7+,11-10+,21-19+
InChIKey
DSALQCDYXNDYHC-ZMEURTSISA-N
Compound name
dimethyl (E)-3-methoxy-4-oxo-5-[(8E,11E)-pentadeca-8,11,14-trienyl]hex-2-enedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

420.2512 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 421.25848 209.8
[M+Na]+ 443.24042 213.0
[M+NH4]+ 438.28502 213.6
[M+K]+ 459.21436 211.1
[M-H]- 419.24392 205.3
[M+Na-2H]- 441.22587 215.3
[M]+ 420.25065 209.2
[M]- 420.25175 209.2
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.