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

27
Patents

162.05283 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.060106 131.2
[M+Na]+ 185.042048 137.8
[M-H]- 161.045554 130.3
[M+NH4]+ 180.086653 151.0
[M+K]+ 201.015988 139.3
[M+H-H2O]+ 145.050090 126.6
[M+HCOO]- 207.051031 152.2
[M+CH3COO]- 221.066681 174.7
[M+Na-2H]- 183.027496 134.2
[M]+ 162.05228142 134.5
[M]- 162.05337858 134.5
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