CID 49791962

2-(carboxylatomethyl)-5-oxo-2,5-dihydrofuran-2-ide-3-carboxylate

Structural Information

Molecular Formula
C7H6O6
SMILES
C1=C(OC(=C1C(=O)O)CC(=O)O)O
InChI
InChI=1S/C7H6O6/c8-5(9)2-4-3(7(11)12)1-6(10)13-4/h1,10H,2H2,(H,8,9)(H,11,12)
InChIKey
LTTYCSFIHFANTP-UHFFFAOYSA-N
Compound name
2-(carboxymethyl)-5-hydroxyfuran-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

186.01643 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.02371 133.3
[M+Na]+ 209.00565 141.5
[M-H]- 185.00915 134.3
[M+NH4]+ 204.05025 151.3
[M+K]+ 224.97959 141.4
[M+H-H2O]+ 169.01369 128.8
[M+HCOO]- 231.01463 153.3
[M+CH3COO]- 245.03028 172.9
[M+Na-2H]- 206.99110 136.2
[M]+ 186.01588 134.8
[M]- 186.01698 134.8
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.