CID 167740865

3-(hydroxymethyl)oxane-3,4-diol

Structural Information

Molecular Formula
C6H12O4
SMILES
C1COCC(C1O)(CO)O
InChI
InChI=1S/C6H12O4/c7-3-6(9)4-10-2-1-5(6)8/h5,7-9H,1-4H2
InChIKey
UCUVQRRLVUVETR-UHFFFAOYSA-N
Compound name
3-(hydroxymethyl)oxane-3,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

148.07356 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.08084 129.3
[M+Na]+ 171.06278 135.3
[M-H]- 147.06628 129.3
[M+NH4]+ 166.10738 149.1
[M+K]+ 187.03672 135.3
[M+H-H2O]+ 131.07082 125.5
[M+HCOO]- 193.07176 145.8
[M+CH3COO]- 207.08741 164.6
[M+Na-2H]- 169.04823 136.2
[M]+ 148.07301 125.4
[M]- 148.07411 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

No patent data available for this compound.