CID 3024023

Ethyl 4-allyloxy-3-ethyl-2-methylbenzoate

Structural Information

Molecular Formula
C15H20O3
SMILES
CCC1=C(C=CC(=C1C)C(=O)OCC)OCC=C
InChI
InChI=1S/C15H20O3/c1-5-10-18-14-9-8-13(15(16)17-7-3)11(4)12(14)6-2/h5,8-9H,1,6-7,10H2,2-4H3
InChIKey
OVKIFUXQGMFRQE-UHFFFAOYSA-N
Compound name
ethyl 3-ethyl-2-methyl-4-prop-2-enoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

248.14125 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.14853 156.5
[M+Na]+ 271.13047 164.4
[M-H]- 247.13397 160.3
[M+NH4]+ 266.17507 174.5
[M+K]+ 287.10441 162.1
[M+H-H2O]+ 231.13851 150.3
[M+HCOO]- 293.13945 179.2
[M+CH3COO]- 307.15510 197.4
[M+Na-2H]- 269.11592 158.3
[M]+ 248.14070 162.0
[M]- 248.14180 162.0
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.