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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	133.08592	125.6
[M+Na]+	155.06786	135.6
[M+NH4]+	150.11246	133.6
[M+K]+	171.04180	131.5
[M-H]-	131.07136	127.4
[M+Na-2H]-	153.05331	129.2
[M]+	132.07809	127.2
[M]-	132.07919	127.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe