CID 57808

Benzoic acid, 3-allyl-4-hydroxy-5-propyl-, ethyl ester

Structural Information

Molecular Formula
C15H20O3
SMILES
CCCC1=C(C(=CC(=C1)C(=O)OCC)CC=C)O
InChI
InChI=1S/C15H20O3/c1-4-7-11-9-13(15(17)18-6-3)10-12(8-5-2)14(11)16/h4,9-10,16H,1,5-8H2,2-3H3
InChIKey
HGBSODFOTQNLSP-UHFFFAOYSA-N
Compound name
ethyl 4-hydroxy-3-prop-2-enyl-5-propylbenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

248.14125 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.14853 158.7
[M+Na]+ 271.13047 170.4
[M+NH4]+ 266.17507 165.2
[M+K]+ 287.10441 164.0
[M-H]- 247.13397 159.3
[M+Na-2H]- 269.11592 162.7
[M]+ 248.14070 160.4
[M]- 248.14180 160.4
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.