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 150.5
[M+Na]+ 239.10426 156.6
[M-H]- 215.10776 153.4
[M+NH4]+ 234.14886 169.0
[M+K]+ 255.07820 153.2
[M+H-H2O]+ 199.11230 144.0
[M+HCOO]- 261.11324 173.5
[M+CH3COO]- 275.12889 186.7
[M+Na-2H]- 237.08971 154.8
[M]+ 216.11449 152.1
[M]- 216.11559 152.1
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.