CID 6011290

331460-41-4

Structural Information

Molecular Formula
C26H32O3
SMILES
CCCCCCCCCC(=O)OC1=CC=C(C=C1)/C=C/C(=O)C2=CC=C(C=C2)C
InChI
InChI=1S/C26H32O3/c1-3-4-5-6-7-8-9-10-26(28)29-24-18-13-22(14-19-24)15-20-25(27)23-16-11-21(2)12-17-23/h11-20H,3-10H2,1-2H3/b20-15+
InChIKey
REAXRIUPNWPULJ-HMMYKYKNSA-N
Compound name
[4-[(E)-3-(4-methylphenyl)-3-oxoprop-1-enyl]phenyl] decanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

392.23514 Da
Monoisotopic Mass

7.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.24242 201.0
[M+Na]+ 415.22436 213.3
[M+NH4]+ 410.26896 206.9
[M+K]+ 431.19830 204.0
[M-H]- 391.22786 204.1
[M+Na-2H]- 413.20981 206.8
[M]+ 392.23459 203.6
[M]- 392.23569 203.6
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.