CID 57810

Benzoic acid, 4-(allyloxy)-3,5-diallyl-, ethyl ester

Structural Information

Molecular Formula
C18H22O3
SMILES
CCOC(=O)C1=CC(=C(C(=C1)CC=C)OCC=C)CC=C
InChI
InChI=1S/C18H22O3/c1-5-9-14-12-16(18(19)20-8-4)13-15(10-6-2)17(14)21-11-7-3/h5-7,12-13H,1-3,8-11H2,4H3
InChIKey
RHCXZHIHKVYLHB-UHFFFAOYSA-N
Compound name
ethyl 4-prop-2-enoxy-3,5-bis(prop-2-enyl)benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.1569 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.16418 167.0
[M+Na]+ 309.14612 174.3
[M-H]- 285.14962 170.3
[M+NH4]+ 304.19072 183.3
[M+K]+ 325.12006 170.0
[M+H-H2O]+ 269.15416 160.4
[M+HCOO]- 331.15510 189.1
[M+CH3COO]- 345.17075 204.8
[M+Na-2H]- 307.13157 167.4
[M]+ 286.15635 172.3
[M]- 286.15745 172.3
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.