CID 76150

2881-83-6

Structural Information

Molecular Formula
C12H14O4
SMILES
CCOC(=O)CC(=O)C1=CC=C(C=C1)OC
InChI
InChI=1S/C12H14O4/c1-3-16-12(14)8-11(13)9-4-6-10(15-2)7-5-9/h4-7H,3,8H2,1-2H3
InChIKey
KRAHENMBSVAAHD-UHFFFAOYSA-N
Compound name
ethyl 3-(4-methoxyphenyl)-3-oxopropanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

554
Patents

222.0892 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.09648 148.3
[M+Na]+ 245.07842 159.6
[M+NH4]+ 240.12302 155.0
[M+K]+ 261.05236 154.6
[M-H]- 221.08192 148.7
[M+Na-2H]- 243.06387 153.3
[M]+ 222.08865 149.8
[M]- 222.08975 149.8
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