CID 448431

4,5-dihydroxy-tetrahydro-pyran-2-carboxylic acid

Structural Information

Molecular Formula
C6H10O5
SMILES
C1[C@@H]([C@H](CO[C@@H]1C(=O)O)O)O
InChI
InChI=1S/C6H10O5/c7-3-1-5(6(9)10)11-2-4(3)8/h3-5,7-8H,1-2H2,(H,9,10)/t3-,4-,5-/m0/s1
InChIKey
YRPRHLNMFWDGSL-YUPRTTJUSA-N
Compound name
(2S,4S,5S)-4,5-dihydroxyoxane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

15
Patents

162.05283 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.06011 130.6
[M+Na]+ 185.04205 136.6
[M-H]- 161.04555 130.8
[M+NH4]+ 180.08665 147.9
[M+K]+ 201.01599 136.8
[M+H-H2O]+ 145.05009 126.0
[M+HCOO]- 207.05103 146.6
[M+CH3COO]- 221.06668 168.6
[M+Na-2H]- 183.02750 134.5
[M]+ 162.05228 126.9
[M]- 162.05338 126.9
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