CID 13455853

1,5-anhydro-4-deoxyhexitol

Structural Information

Molecular Formula
C6H12O4
SMILES
C1C(OCC(C1O)O)CO
InChI
InChI=1S/C6H12O4/c7-2-4-1-5(8)6(9)3-10-4/h4-9H,1-3H2
InChIKey
POHLHDSBJAEFFB-UHFFFAOYSA-N
Compound name
6-(hydroxymethyl)oxane-3,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

43
Patents

148.07356 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.08084 128.6
[M+Na]+ 171.06278 137.9
[M+NH4]+ 166.10738 135.6
[M+K]+ 187.03672 134.9
[M-H]- 147.06628 129.3
[M+Na-2H]- 169.04823 130.8
[M]+ 148.07301 129.7
[M]- 148.07411 129.7
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