CID 53642934

3-ethoxy-2-methoxy-3-oxopropanoic acid

Structural Information

Molecular Formula
C6H10O5
SMILES
CCOC(=O)C(C(=O)O)OC
InChI
InChI=1S/C6H10O5/c1-3-11-6(9)4(10-2)5(7)8/h4H,3H2,1-2H3,(H,7,8)
InChIKey
AHHOEWMSBSEQAQ-UHFFFAOYSA-N
Compound name
3-ethoxy-2-methoxy-3-oxopropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

162.05283 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.06011 132.5
[M+Na]+ 185.04205 140.2
[M+NH4]+ 180.08665 137.7
[M+K]+ 201.01599 138.5
[M-H]- 161.04555 128.8
[M+Na-2H]- 183.02750 133.3
[M]+ 162.05228 131.9
[M]- 162.05338 131.9
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