CID 74362

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

Structural Information

Molecular Formula
C10H12O3
SMILES
C1C(COC(O1)C2=CC=CC=C2)O
InChI
InChI=1S/C10H12O3/c11-9-6-12-10(13-7-9)8-4-2-1-3-5-8/h1-5,9-11H,6-7H2
InChIKey
BWKDAAFSXYPQOS-UHFFFAOYSA-N
Compound name
2-phenyl-1,3-dioxan-5-ol
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

2620
Patents

180.07864 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.08592 136.4
[M+Na]+ 203.06786 142.4
[M-H]- 179.07136 142.8
[M+NH4]+ 198.11246 152.8
[M+K]+ 219.04180 142.8
[M+H-H2O]+ 163.07590 130.1
[M+HCOO]- 225.07684 155.2
[M+CH3COO]- 239.09249 175.8
[M+Na-2H]- 201.05331 144.3
[M]+ 180.07809 134.0
[M]- 180.07919 134.0
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