CID 87534988

6-oxo-glc

Structural Information

Molecular Formula
C6H10O6
SMILES
C(=O)[C@@H]1[C@H]([C@@H]([C@H](C(O1)O)O)O)O
InChI
InChI=1S/C6H10O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h1-6,8-11H/t2-,3-,4+,5-,6?/m1/s1
InChIKey
LABWFKZNXLWHGQ-GASJEMHNSA-N
Compound name
(2S,3S,4S,5R)-3,4,5,6-tetrahydroxyoxane-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

178.04774 Da
Monoisotopic Mass

-2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.05502 133.0
[M+Na]+ 201.03696 140.5
[M-H]- 177.04046 132.4
[M+NH4]+ 196.08156 149.5
[M+K]+ 217.01090 139.9
[M+H-H2O]+ 161.04500 128.6
[M+HCOO]- 223.04594 148.6
[M+CH3COO]- 237.06159 170.5
[M+Na-2H]- 199.02241 136.3
[M]+ 178.04719 130.4
[M]- 178.04829 130.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe