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

17
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 131.2
[M+Na]+ 185.04205 137.8
[M-H]- 161.04555 130.3
[M+NH4]+ 180.08665 151.0
[M+K]+ 201.01599 139.3
[M+H-H2O]+ 145.05009 126.6
[M+HCOO]- 207.05103 152.2
[M+CH3COO]- 221.06668 174.7
[M+Na-2H]- 183.02750 134.2
[M]+ 162.05228 134.5
[M]- 162.05338 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