CID 3045613

Alpha,alpha-diphenyl-2-quinuclidinemethanol

Structural Information

Molecular Formula
C20H23NO
SMILES
C1CN2CCC1CC2C(C3=CC=CC=C3)(C4=CC=CC=C4)O
InChI
InChI=1S/C20H23NO/c22-20(17-7-3-1-4-8-17,18-9-5-2-6-10-18)19-15-16-11-13-21(19)14-12-16/h1-10,16,19,22H,11-15H2
InChIKey
JNZMANQLHCNXTA-UHFFFAOYSA-N
Compound name
1-azabicyclo[2.2.2]octan-2-yl(diphenyl)methanol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

3
Patents

293.17798 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.185256 166.9
[M+Na]+ 316.167198 168.5
[M-H]- 292.170704 166.2
[M+NH4]+ 311.211803 183.6
[M+K]+ 332.141138 163.2
[M+H-H2O]+ 276.175240 158.3
[M+HCOO]- 338.176181 174.0
[M+CH3COO]- 352.191831 174.3
[M+Na-2H]- 314.152646 177.5
[M]+ 293.17743142 164.2
[M]- 293.17852858 164.2
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

patents stripe