CID 2758864

Ethyl 2-(4-methoxyphenyl)-2-oxoacetate

Structural Information

Molecular Formula
C11H12O4
SMILES
CCOC(=O)C(=O)C1=CC=C(C=C1)OC
InChI
InChI=1S/C11H12O4/c1-3-15-11(13)10(12)8-4-6-9(14-2)7-5-8/h4-7H,3H2,1-2H3
InChIKey
FSFFJEWAYWRLFT-UHFFFAOYSA-N
Compound name
ethyl 2-(4-methoxyphenyl)-2-oxoacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

176
Patents

208.07356 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.08084 142.7
[M+Na]+ 231.06278 150.1
[M-H]- 207.06628 146.5
[M+NH4]+ 226.10738 161.5
[M+K]+ 247.03672 149.7
[M+H-H2O]+ 191.07082 136.6
[M+HCOO]- 253.07176 166.0
[M+CH3COO]- 267.08741 185.9
[M+Na-2H]- 229.04823 146.8
[M]+ 208.07301 146.8
[M]- 208.07411 146.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe