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]+ 187.023706 133.3
[M+Na]+ 209.005648 141.5
[M-H]- 185.009154 134.3
[M+NH4]+ 204.050253 151.3
[M+K]+ 224.979588 141.4
[M+H-H2O]+ 169.013690 128.8
[M+HCOO]- 231.014631 153.3
[M+CH3COO]- 245.030281 172.9
[M+Na-2H]- 206.991096 136.2
[M]+ 186.01588142 134.8
[M]- 186.01697858 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.