CID 170584

Butanedioic acid, 2-oxo-, 1-ethyl ester, sodium salt (1:1)

Structural Information

Molecular Formula
C6H8O5
SMILES
CCOC(=O)C(=O)CC(=O)O
InChI
InChI=1S/C6H8O5/c1-2-11-6(10)4(7)3-5(8)9/h2-3H2,1H3,(H,8,9)
InChIKey
SJYGNUHWEVULGN-UHFFFAOYSA-N
Compound name
4-ethoxy-3,4-dioxobutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

84
Patents

160.03717 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.04445 129.5
[M+Na]+ 183.02639 136.5
[M-H]- 159.02989 128.6
[M+NH4]+ 178.07099 149.3
[M+K]+ 199.00033 137.3
[M+H-H2O]+ 143.03443 125.0
[M+HCOO]- 205.03537 150.7
[M+CH3COO]- 219.05102 173.8
[M+Na-2H]- 181.01184 132.5
[M]+ 160.03662 132.1
[M]- 160.03772 132.1
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