CID 6448208

1-methyl-2-((1-oxo-3-phenyl-2-propenyl)oxy)propyl decanoate

Structural Information

Molecular Formula
C23H34O4
SMILES
CCCCCCCCCC(=O)OC(C)C(C)OC(=O)/C=C/C1=CC=CC=C1
InChI
InChI=1S/C23H34O4/c1-4-5-6-7-8-9-13-16-22(24)26-19(2)20(3)27-23(25)18-17-21-14-11-10-12-15-21/h10-12,14-15,17-20H,4-9,13,16H2,1-3H3/b18-17+
InChIKey
NXXSHSNTDLCUKS-ISLYRVAYSA-N
Compound name
3-[(E)-3-phenylprop-2-enoyl]oxybutan-2-yl decanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

374.2457 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.25298 195.8
[M+Na]+ 397.23492 203.8
[M+NH4]+ 392.27952 200.1
[M+K]+ 413.20886 197.6
[M-H]- 373.23842 195.0
[M+Na-2H]- 395.22037 197.4
[M]+ 374.24515 196.3
[M]- 374.24625 196.3
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.