CID 231974

2-(1,3-dioxan-2-yl)ethanol

Structural Information

Molecular Formula
C6H12O3
SMILES
C1COC(OC1)CCO
InChI
InChI=1S/C6H12O3/c7-3-2-6-8-4-1-5-9-6/h6-7H,1-5H2
InChIKey
LYTNHFVPHUPKGE-UHFFFAOYSA-N
Compound name
2-(1,3-dioxan-2-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

97
Patents

132.07864 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 133.08592 126.1
[M+Na]+ 155.06786 131.2
[M-H]- 131.07136 128.9
[M+NH4]+ 150.11246 144.4
[M+K]+ 171.04180 133.2
[M+H-H2O]+ 115.07590 120.9
[M+HCOO]- 177.07684 144.6
[M+CH3COO]- 191.09249 166.8
[M+Na-2H]- 153.05331 134.4
[M]+ 132.07809 124.3
[M]- 132.07919 124.3
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