CID 15004075

2,3-dimethoxy-3-oxopropanoic acid

Structural Information

Molecular Formula
C5H8O5
SMILES
COC(C(=O)O)C(=O)OC
InChI
InChI=1S/C5H8O5/c1-9-3(4(6)7)5(8)10-2/h3H,1-2H3,(H,6,7)
InChIKey
ADLPNADGKPULBG-UHFFFAOYSA-N
Compound name
2,3-dimethoxy-3-oxopropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

79
Patents

148.03717 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.04445 126.5
[M+Na]+ 171.02639 133.5
[M-H]- 147.02989 125.7
[M+NH4]+ 166.07099 146.8
[M+K]+ 187.00033 135.2
[M+H-H2O]+ 131.03443 122.0
[M+HCOO]- 193.03537 147.7
[M+CH3COO]- 207.05102 171.7
[M+Na-2H]- 169.01184 130.0
[M]+ 148.03662 129.3
[M]- 148.03772 129.3
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