CID 112278

4-(5,5-dimethyl-1,3-dioxan-2-yl)-2-ethoxyphenol

Structural Information

Molecular Formula
C14H20O4
SMILES
CCOC1=C(C=CC(=C1)C2OCC(CO2)(C)C)O
InChI
InChI=1S/C14H20O4/c1-4-16-12-7-10(5-6-11(12)15)13-17-8-14(2,3)9-18-13/h5-7,13,15H,4,8-9H2,1-3H3
InChIKey
XEFZTJTXHMGSFR-UHFFFAOYSA-N
Compound name
4-(5,5-dimethyl-1,3-dioxan-2-yl)-2-ethoxyphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

252.13615 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.14343 157.0
[M+Na]+ 275.12537 163.9
[M-H]- 251.12887 163.8
[M+NH4]+ 270.16997 173.0
[M+K]+ 291.09931 164.4
[M+H-H2O]+ 235.13341 150.7
[M+HCOO]- 297.13435 174.6
[M+CH3COO]- 311.15000 192.0
[M+Na-2H]- 273.11082 162.6
[M]+ 252.13560 158.6
[M]- 252.13670 158.6
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