CID 2759695

41607-95-8

Structural Information

Molecular Formula
C12H14O4
SMILES
CCOC(=O)CC(=O)C1=CC=CC=C1OC
InChI
InChI=1S/C12H14O4/c1-3-16-12(14)8-10(13)9-6-4-5-7-11(9)15-2/h4-7H,3,8H2,1-2H3
InChIKey
KROPYAVVJDXRPH-UHFFFAOYSA-N
Compound name
ethyl 3-(2-methoxyphenyl)-3-oxopropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

212
Patents

222.0892 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.09648 147.4
[M+Na]+ 245.07842 154.5
[M-H]- 221.08192 151.1
[M+NH4]+ 240.12302 165.7
[M+K]+ 261.05236 153.8
[M+H-H2O]+ 205.08646 141.1
[M+HCOO]- 267.08740 170.4
[M+CH3COO]- 281.10305 188.9
[M+Na-2H]- 243.06387 151.0
[M]+ 222.08865 151.9
[M]- 222.08975 151.9
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