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 175.3
[M+Na]+ 349.17742 182.1
[M-H]- 325.18092 185.7
[M+NH4]+ 344.22202 185.9
[M+K]+ 365.15136 183.1
[M+H-H2O]+ 309.18546 163.1
[M+HCOO]- 371.18640 195.3
[M+CH3COO]- 385.20205 212.3
[M+Na-2H]- 347.16287 180.2
[M]+ 326.18765 189.1
[M]- 326.18875 189.1
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

patents stripe