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

48
Patents

148.07356 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.080836 129.3
[M+Na]+ 171.062778 135.3
[M-H]- 147.066284 129.4
[M+NH4]+ 166.107383 147.4
[M+K]+ 187.036718 135.1
[M+H-H2O]+ 131.070820 124.7
[M+HCOO]- 193.071761 145.9
[M+CH3COO]- 207.087411 166.2
[M+Na-2H]- 169.048226 134.3
[M]+ 148.07301142 125.4
[M]- 148.07410858 125.4
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