CID 3065112

2-propen-1-ol, 1,1-diphenyl-3-(3-quinuclidinyl)-, hydrochloride

Structural Information

Molecular Formula
C22H23NO
SMILES
C1CN2CCC1C(C2)C#CC(C3=CC=CC=C3)(C4=CC=CC=C4)O
InChI
InChI=1S/C22H23NO/c24-22(20-7-3-1-4-8-20,21-9-5-2-6-10-21)14-11-19-17-23-15-12-18(19)13-16-23/h1-10,18-19,24H,12-13,15-17H2
InChIKey
JZBPAABWDQDOMS-UHFFFAOYSA-N
Compound name
3-(1-azabicyclo[2.2.2]octan-3-yl)-1,1-diphenylprop-2-yn-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

317.17798 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.185256 182.5
[M+Na]+ 340.167198 188.5
[M-H]- 316.170704 180.1
[M+NH4]+ 335.211803 196.5
[M+K]+ 356.141138 175.4
[M+H-H2O]+ 300.175240 168.9
[M+HCOO]- 362.176181 184.9
[M+CH3COO]- 376.191831 187.7
[M+Na-2H]- 338.152646 189.6
[M]+ 317.17743142 174.5
[M]- 317.17852858 174.5
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