CID 33537

2-furoic acid, tetrahydro-3-hydroxy-2,3,4-trimethyl-5-oxo-, (2r,3r,4r)-

Structural Information

Molecular Formula
C8H12O5
SMILES
C[C@@H]1C(=O)O[C@@]([C@]1(C)O)(C)C(=O)O
InChI
InChI=1S/C8H12O5/c1-4-5(9)13-8(3,6(10)11)7(4,2)12/h4,12H,1-3H3,(H,10,11)/t4-,7-,8+/m1/s1
InChIKey
YTEPYGBARSCSMX-VXFFBNABSA-N
Compound name
(2R,3R,4S)-3-hydroxy-2,3,4-trimethyl-5-oxooxolane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

188.06847 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.07575 136.4
[M+Na]+ 211.05769 144.6
[M+NH4]+ 206.10229 144.8
[M+K]+ 227.03163 141.1
[M-H]- 187.06119 135.5
[M+Na-2H]- 209.04314 140.0
[M]+ 188.06792 137.2
[M]- 188.06902 137.2
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.