CID 53426552

Ns00060892

Structural Information

Molecular Formula
C15H18O3
SMILES
CC=C(C)C(=O)OC1=C(C=C(C=C1)CC=C)OC
InChI
InChI=1S/C15H18O3/c1-5-7-12-8-9-13(14(10-12)17-4)18-15(16)11(3)6-2/h5-6,8-10H,1,7H2,2-4H3
InChIKey
XRBFCTNRJMOUMF-UHFFFAOYSA-N
Compound name
(2-methoxy-4-prop-2-enylphenyl) 2-methylbut-2-enoate
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]+ 247.132876 156.0
[M+Na]+ 269.114818 163.2
[M-H]- 245.118324 159.6
[M+NH4]+ 264.159423 173.7
[M+K]+ 285.088758 160.6
[M+H-H2O]+ 229.122860 149.8
[M+HCOO]- 291.123801 177.9
[M+CH3COO]- 305.139451 195.6
[M+Na-2H]- 267.100266 157.3
[M]+ 246.12505142 159.7
[M]- 246.12614858 159.7
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.