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

10
Patents

132.07864 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 133.085916 126.2
[M+Na]+ 155.067858 131.8
[M-H]- 131.071364 127.4
[M+NH4]+ 150.112463 147.2
[M+K]+ 171.041798 132.2
[M+H-H2O]+ 115.075900 122.2
[M+HCOO]- 177.076841 144.2
[M+CH3COO]- 191.092491 163.7
[M+Na-2H]- 153.053306 134.3
[M]+ 132.07809142 122.3
[M]- 132.07918858 122.3
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