CID 350206

3-(hydroxymethyl)oxan-4-ol

Structural Information

Molecular Formula
C6H12O3
SMILES
C1COCC(C1O)CO
InChI
InChI=1S/C6H12O3/c7-3-5-4-9-2-1-6(5)8/h5-8H,1-4H2
InChIKey
XRABMQSZUPRKAS-UHFFFAOYSA-N
Compound name
3-(hydroxymethyl)oxan-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

132.07864 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 133.08592 126.1
[M+Na]+ 155.06786 131.7
[M-H]- 131.07136 127.2
[M+NH4]+ 150.11246 145.3
[M+K]+ 171.04180 131.8
[M+H-H2O]+ 115.07590 121.3
[M+HCOO]- 177.07684 144.0
[M+CH3COO]- 191.09249 165.2
[M+Na-2H]- 153.05331 132.3
[M]+ 132.07809 122.2
[M]- 132.07919 122.2
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