CID 2758865

107642-57-9

Structural Information

Molecular Formula
C13H16O4
SMILES
CCOC(=O)C(=O)C1=CC(=C(C(=C1)C)OC)C
InChI
InChI=1S/C13H16O4/c1-5-17-13(15)11(14)10-6-8(2)12(16-4)9(3)7-10/h6-7H,5H2,1-4H3
InChIKey
GSOLYJCSFYLVCS-UHFFFAOYSA-N
Compound name
ethyl 2-(4-methoxy-3,5-dimethylphenyl)-2-oxoacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.10486 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.112136 149.8
[M+Na]+ 259.094078 158.3
[M-H]- 235.097584 154.0
[M+NH4]+ 254.138683 168.2
[M+K]+ 275.068018 157.5
[M+H-H2O]+ 219.102120 143.9
[M+HCOO]- 281.103061 172.4
[M+CH3COO]- 295.118711 194.4
[M+Na-2H]- 257.079526 151.6
[M]+ 236.10431142 155.5
[M]- 236.10540858 155.5
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.