CID 118817

2,4-hexadienoic acid, 2-phenylethyl ester

Structural Information

Molecular Formula
C14H16O2
SMILES
CC=CC=CC(=O)OCCC1=CC=CC=C1
InChI
InChI=1S/C14H16O2/c1-2-3-5-10-14(15)16-12-11-13-8-6-4-7-9-13/h2-10H,11-12H2,1H3
InChIKey
PPZYQYDDSJRELL-UHFFFAOYSA-N
Compound name
2-phenylethyl hexa-2,4-dienoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

216.11504 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.12232 151.5
[M+Na]+ 239.10426 163.5
[M+NH4]+ 234.14886 158.9
[M+K]+ 255.07820 155.7
[M-H]- 215.10776 152.8
[M+Na-2H]- 237.08971 157.4
[M]+ 216.11449 153.4
[M]- 216.11559 153.4
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.