CID 13115541

4-(hydroxymethyl)oxan-4-ol

Structural Information

Molecular Formula
C6H12O3
SMILES
C1COCCC1(CO)O
InChI
InChI=1S/C6H12O3/c7-5-6(8)1-3-9-4-2-6/h7-8H,1-5H2
InChIKey
WGIQIRVBICUOPR-UHFFFAOYSA-N
Compound name
4-(hydroxymethyl)oxan-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

132.07864 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 133.08592 126.3
[M+Na]+ 155.06786 136.1
[M+NH4]+ 150.11246 135.7
[M+K]+ 171.04180 130.1
[M-H]- 131.07136 128.0
[M+Na-2H]- 153.05331 131.7
[M]+ 132.07809 128.1
[M]- 132.07919 128.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe