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]+ 287.164176 167.0
[M+Na]+ 309.146118 174.3
[M-H]- 285.149624 170.3
[M+NH4]+ 304.190723 183.3
[M+K]+ 325.120058 170.0
[M+H-H2O]+ 269.154160 160.4
[M+HCOO]- 331.155101 189.1
[M+CH3COO]- 345.170751 204.8
[M+Na-2H]- 307.131566 167.4
[M]+ 286.15635142 172.3
[M]- 286.15744858 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.