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 171.5
[M+Na]+ 330.18282 172.6
[M-H]- 306.18632 170.5
[M+NH4]+ 325.22742 187.6
[M+K]+ 346.15676 167.0
[M+H-H2O]+ 290.19086 162.6
[M+HCOO]- 352.19180 178.2
[M+CH3COO]- 366.20745 178.3
[M+Na-2H]- 328.16827 181.5
[M]+ 307.19305 169.0
[M]- 307.19415 169.0
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