CID 107396

3488-00-4

Structural Information

Molecular Formula
C15H20O2
SMILES
CCCCCCOC(=O)C=CC1=CC=CC=C1
InChI
InChI=1S/C15H20O2/c1-2-3-4-8-13-17-15(16)12-11-14-9-6-5-7-10-14/h5-7,9-12H,2-4,8,13H2,1H3
InChIKey
UYWPFEKMTYDVQM-UHFFFAOYSA-N
Compound name
hexyl 3-phenylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

182
Patents

232.14633 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.15361 156.4
[M+Na]+ 255.13555 161.7
[M-H]- 231.13905 159.1
[M+NH4]+ 250.18015 174.3
[M+K]+ 271.10949 158.6
[M+H-H2O]+ 215.14359 149.6
[M+HCOO]- 277.14453 178.9
[M+CH3COO]- 291.16018 191.2
[M+Na-2H]- 253.12100 160.1
[M]+ 232.14578 159.2
[M]- 232.14688 159.2
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