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]+ 149.080836 129.3
[M+Na]+ 171.062778 135.3
[M-H]- 147.066284 129.3
[M+NH4]+ 166.107383 149.1
[M+K]+ 187.036718 135.3
[M+H-H2O]+ 131.070820 125.5
[M+HCOO]- 193.071761 145.8
[M+CH3COO]- 207.087411 164.6
[M+Na-2H]- 169.048226 136.2
[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

No patent data available for this compound.