CID 57766

Brn 2583296

Structural Information

Molecular Formula
C15H18O3
SMILES
CCOC(=O)C1=CC(=C(C(=C1)CC=C)O)CC=C
InChI
InChI=1S/C15H18O3/c1-4-7-11-9-13(15(17)18-6-3)10-12(8-5-2)14(11)16/h4-5,9-10,16H,1-2,6-8H2,3H3
InChIKey
JOUJVFQMMSBQQO-UHFFFAOYSA-N
Compound name
ethyl 4-hydroxy-3,5-bis(prop-2-enyl)benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.1256 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.13288 155.7
[M+Na]+ 269.11482 163.5
[M-H]- 245.11832 158.1
[M+NH4]+ 264.15942 173.0
[M+K]+ 285.08876 159.6
[M+H-H2O]+ 229.12286 149.8
[M+HCOO]- 291.12380 177.0
[M+CH3COO]- 305.13945 194.0
[M+Na-2H]- 267.10027 157.0
[M]+ 246.12505 158.6
[M]- 246.12615 158.6
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.