CID 444063

Refchem:755715

Structural Information

Molecular Formula
C6H12O4
SMILES
C[C@@H]1[C@@H]([C@@H](C[C@@H](O1)O)O)O
InChI
InChI=1S/C6H12O4/c1-3-6(9)4(7)2-5(8)10-3/h3-9H,2H2,1H3/t3-,4-,5-,6+/m1/s1
InChIKey
FDWRIIDFYSUTDP-KAZBKCHUSA-N
Compound name
(2R,4R,5R,6R)-6-methyloxane-2,4,5-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

148.07356 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.080836 129.0
[M+Na]+ 171.062778 136.0
[M-H]- 147.066284 129.5
[M+NH4]+ 166.107383 147.4
[M+K]+ 187.036718 135.8
[M+H-H2O]+ 131.070820 124.7
[M+HCOO]- 193.071761 145.5
[M+CH3COO]- 207.087411 167.5
[M+Na-2H]- 169.048226 133.3
[M]+ 148.07301142 125.5
[M]- 148.07410858 125.5
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