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]+ 237.11214 149.8
[M+Na]+ 259.09408 158.3
[M-H]- 235.09758 154.0
[M+NH4]+ 254.13868 168.2
[M+K]+ 275.06802 157.5
[M+H-H2O]+ 219.10212 143.9
[M+HCOO]- 281.10306 172.4
[M+CH3COO]- 295.11871 194.4
[M+Na-2H]- 257.07953 151.6
[M]+ 236.10431 155.5
[M]- 236.10541 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.