CID 3029623

Diethyl 2-methoxy-3-oxosuccinate

Structural Information

Molecular Formula
C9H14O6
SMILES
CCOC(=O)C(C(=O)C(=O)OCC)OC
InChI
InChI=1S/C9H14O6/c1-4-14-8(11)6(10)7(13-3)9(12)15-5-2/h7H,4-5H2,1-3H3
InChIKey
XDJKITMFBNRHKX-UHFFFAOYSA-N
Compound name
diethyl 2-methoxy-3-oxobutanedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

41
Patents

218.07904 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.08632 146.5
[M+Na]+ 241.06826 153.4
[M+NH4]+ 236.11286 150.6
[M+K]+ 257.04220 152.0
[M-H]- 217.07176 142.2
[M+Na-2H]- 239.05371 146.3
[M]+ 218.07849 145.6
[M]- 218.07959 145.6
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

patents stripe