CID 5356261

Hexanoic acid, 3-phenyl-2-propenyl ester

Structural Information

Molecular Formula
C15H20O2
SMILES
CCCCCC(=O)OC/C=C/C1=CC=CC=C1
InChI
InChI=1S/C15H20O2/c1-2-3-5-12-15(16)17-13-8-11-14-9-6-4-7-10-14/h4,6-11H,2-3,5,12-13H2,1H3/b11-8+
InChIKey
BHXVENZBMFLCKE-DHZHZOJOSA-N
Compound name
[(E)-3-phenylprop-2-enyl] hexanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

232.14633 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.15361 156.7
[M+Na]+ 255.13555 168.3
[M+NH4]+ 250.18015 164.2
[M+K]+ 271.10949 160.4
[M-H]- 231.13905 158.2
[M+Na-2H]- 253.12100 162.4
[M]+ 232.14578 158.6
[M]- 232.14688 158.6
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

patents stripe