CID 103655

52514-67-7

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

2
Patents

266.1518 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.15908 161.0
[M+Na]+ 289.14102 168.5
[M-H]- 265.14452 168.1
[M+NH4]+ 284.18562 176.9
[M+K]+ 305.11496 168.8
[M+H-H2O]+ 249.14906 154.8
[M+HCOO]- 311.15000 178.3
[M+CH3COO]- 325.16565 196.3
[M+Na-2H]- 287.12647 165.5
[M]+ 266.15125 163.5
[M]- 266.15235 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