CID 572214

5-ethyl-2-phenyl-1,3-dioxane-5-methanol

Structural Information

Molecular Formula
C13H18O3
SMILES
CCC1(COC(OC1)C2=CC=CC=C2)CO
InChI
InChI=1S/C13H18O3/c1-2-13(8-14)9-15-12(16-10-13)11-6-4-3-5-7-11/h3-7,12,14H,2,8-10H2,1H3
InChIKey
GMXSKCYQYXMJFU-UHFFFAOYSA-N
Compound name
(5-ethyl-2-phenyl-1,3-dioxan-5-yl)methanol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

22
Patents

222.1256 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.132876 150.2
[M+Na]+ 245.114818 155.8
[M-H]- 221.118324 156.4
[M+NH4]+ 240.159423 166.9
[M+K]+ 261.088758 155.8
[M+H-H2O]+ 205.122860 143.8
[M+HCOO]- 267.123801 168.0
[M+CH3COO]- 281.139451 184.4
[M+Na-2H]- 243.100266 157.5
[M]+ 222.12505142 149.2
[M]- 222.12614858 149.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe