CID 11029884

2,2-dimethyl-1,3-dioxan-5-ol

Structural Information

Molecular Formula
C6H12O3
SMILES
CC1(OCC(CO1)O)C
InChI
InChI=1S/C6H12O3/c1-6(2)8-3-5(7)4-9-6/h5,7H,3-4H2,1-2H3
InChIKey
CGNOMSJAJQUXAT-UHFFFAOYSA-N
Compound name
2,2-dimethyl-1,3-dioxan-5-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

243
Patents

132.07864 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 133.08592 124.5
[M+Na]+ 155.06786 131.6
[M-H]- 131.07136 128.2
[M+NH4]+ 150.11246 145.3
[M+K]+ 171.04180 133.9
[M+H-H2O]+ 115.07590 120.6
[M+HCOO]- 177.07684 143.0
[M+CH3COO]- 191.09249 167.6
[M+Na-2H]- 153.05331 133.5
[M]+ 132.07809 123.5
[M]- 132.07919 123.5
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