CID 3044808

Alpha,alpha-diphenyl-3-quinuclidineethanol

Structural Information

Molecular Formula
C21H25NO
SMILES
C1CN2CCC1C(C2)CC(C3=CC=CC=C3)(C4=CC=CC=C4)O
InChI
InChI=1S/C21H25NO/c23-21(19-7-3-1-4-8-19,20-9-5-2-6-10-20)15-18-16-22-13-11-17(18)12-14-22/h1-10,17-18,23H,11-16H2
InChIKey
RBPCUBPNDXDMKG-UHFFFAOYSA-N
Compound name
2-(1-azabicyclo[2.2.2]octan-3-yl)-1,1-diphenylethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

307.1936 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.20088 171.0
[M+Na]+ 330.18282 184.0
[M+NH4]+ 325.22742 182.1
[M+K]+ 346.15676 174.6
[M-H]- 306.18632 173.5
[M+Na-2H]- 328.16827 174.4
[M]+ 307.19305 173.8
[M]- 307.19415 173.8
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