CID 20831806

Ethyl 2-carboxygluconate

Structural Information

Molecular Formula
C8H10O6
SMILES
CCOC(=O)/C=C(\CC(=O)O)/C(=O)O
InChI
InChI=1S/C8H10O6/c1-2-14-7(11)4-5(8(12)13)3-6(9)10/h4H,2-3H2,1H3,(H,9,10)(H,12,13)/b5-4+
InChIKey
ANIDMCPGEUWERH-SNAWJCMRSA-N
Compound name
(2E)-2-(2-ethoxy-2-oxoethylidene)butanedioic acid
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

0
References

52
Patents

202.04774 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.05502 140.6
[M+Na]+ 225.03696 146.3
[M-H]- 201.04046 137.9
[M+NH4]+ 220.08156 157.8
[M+K]+ 241.01090 146.2
[M+H-H2O]+ 185.04500 135.8
[M+HCOO]- 247.04594 159.0
[M+CH3COO]- 261.06159 178.9
[M+Na-2H]- 223.02241 140.8
[M]+ 202.04719 142.0
[M]- 202.04829 142.0
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

No patent data available for this compound.