CID 161756

2,2-bis(4-ethoxyphenyl)-3,3-dimethyloxetane

Structural Information

Molecular Formula
C21H26O3
SMILES
CCOC1=CC=C(C=C1)C2(C(CO2)(C)C)C3=CC=C(C=C3)OCC
InChI
InChI=1S/C21H26O3/c1-5-22-18-11-7-16(8-12-18)21(20(3,4)15-24-21)17-9-13-19(14-10-17)23-6-2/h7-14H,5-6,15H2,1-4H3
InChIKey
TZKHODQGBZHQRH-UHFFFAOYSA-N
Compound name
2,2-bis(4-ethoxyphenyl)-3,3-dimethyloxetane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

326.1882 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.19548 174.0
[M+Na]+ 349.17742 184.4
[M+NH4]+ 344.22202 181.1
[M+K]+ 365.15136 174.9
[M-H]- 325.18092 178.5
[M+Na-2H]- 347.16287 183.0
[M]+ 326.18765 176.2
[M]- 326.18875 176.2
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

No patent data available for this compound.