CID 9881384

246247-82-5

Structural Information

Molecular Formula
C14H16O4
SMILES
CC(=CC(=O)C1=C(C=CC(=C1)C(=O)OC)OC)C
InChI
InChI=1S/C14H16O4/c1-9(2)7-12(15)11-8-10(14(16)18-4)5-6-13(11)17-3/h5-8H,1-4H3
InChIKey
OBVVORXDELICKT-UHFFFAOYSA-N
Compound name
methyl 4-methoxy-3-(3-methylbut-2-enoyl)benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1000
Patents

248.10486 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.112136 153.9
[M+Na]+ 271.094078 161.2
[M-H]- 247.097584 157.7
[M+NH4]+ 266.138683 171.4
[M+K]+ 287.068018 160.0
[M+H-H2O]+ 231.102120 147.8
[M+HCOO]- 293.103061 175.4
[M+CH3COO]- 307.118711 195.5
[M+Na-2H]- 269.079526 154.7
[M]+ 248.10431142 158.2
[M]- 248.10540858 158.2
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.