CID 170290

40233-98-5

Structural Information

Molecular Formula
C12H14O5
SMILES
CCOC(=O)C(=O)C1=CC(=C(C=C1)OC)OC
InChI
InChI=1S/C12H14O5/c1-4-17-12(14)11(13)8-5-6-9(15-2)10(7-8)16-3/h5-7H,4H2,1-3H3
InChIKey
YBYLSOVTGVAJDY-UHFFFAOYSA-N
Compound name
ethyl 2-(3,4-dimethoxyphenyl)-2-oxoacetate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

63
Patents

238.08412 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.09140 149.1
[M+Na]+ 261.07334 157.0
[M-H]- 237.07684 153.1
[M+NH4]+ 256.11794 167.0
[M+K]+ 277.04728 157.0
[M+H-H2O]+ 221.08138 142.9
[M+HCOO]- 283.08232 172.3
[M+CH3COO]- 297.09797 192.2
[M+Na-2H]- 259.05879 152.2
[M]+ 238.08357 155.5
[M]- 238.08467 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

literature stripe

Patent stripe

patents stripe