CID 107329

2,6-dimethyl-1,3-dioxan-4-ol

Structural Information

Molecular Formula
C6H12O3
SMILES
CC1CC(OC(O1)C)O
InChI
InChI=1S/C6H12O3/c1-4-3-6(7)9-5(2)8-4/h4-7H,3H2,1-2H3
InChIKey
XOXZKNZCICKTLL-UHFFFAOYSA-N
Compound name
2,6-dimethyl-1,3-dioxan-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

205
Patents

132.07864 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 133.08592 124.8
[M+Na]+ 155.06786 136.2
[M+NH4]+ 150.11246 133.1
[M+K]+ 171.04180 132.3
[M-H]- 131.07136 128.5
[M+Na-2H]- 153.05331 128.4
[M]+ 132.07809 127.4
[M]- 132.07919 127.4
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