CID 103655

2-ethoxy-4-(4,4,6-trimethyl-1,3-dioxan-2-yl)phenol

Structural Information

Molecular Formula
C15H22O4
SMILES
CCOC1=C(C=CC(=C1)C2OC(CC(O2)(C)C)C)O
InChI
InChI=1S/C15H22O4/c1-5-17-13-8-11(6-7-12(13)16)14-18-10(2)9-15(3,4)19-14/h6-8,10,14,16H,5,9H2,1-4H3
InChIKey
RTAZBUSLAYSJCD-UHFFFAOYSA-N
Compound name
2-ethoxy-4-(4,4,6-trimethyl-1,3-dioxan-2-yl)phenol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

1
Patents

266.1518 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.159076 161.0
[M+Na]+ 289.141018 168.5
[M-H]- 265.144524 168.1
[M+NH4]+ 284.185623 176.9
[M+K]+ 305.114958 168.8
[M+H-H2O]+ 249.149060 154.8
[M+HCOO]- 311.150001 178.3
[M+CH3COO]- 325.165651 196.3
[M+Na-2H]- 287.126466 165.5
[M]+ 266.15125142 163.5
[M]- 266.15234858 163.5
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