CID 3044816

57734-87-9

Structural Information

Molecular Formula
C20H22ClNO
SMILES
C1CN2CCC1C(C2)C(C3=CC=CC=C3)(C4=CC=C(C=C4)Cl)O
InChI
InChI=1S/C20H22ClNO/c21-18-8-6-17(7-9-18)20(23,16-4-2-1-3-5-16)19-14-22-12-10-15(19)11-13-22/h1-9,15,19,23H,10-14H2
InChIKey
UNTIDFUYZYGXBI-UHFFFAOYSA-N
Compound name
1-azabicyclo[2.2.2]octan-3-yl-(4-chlorophenyl)-phenylmethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

2
Patents

327.13898 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.14626 172.7
[M+Na]+ 350.12820 187.3
[M+NH4]+ 345.17280 184.2
[M+K]+ 366.10214 177.3
[M-H]- 326.13170 175.5
[M+Na-2H]- 348.11365 176.3
[M]+ 327.13843 176.1
[M]- 327.13953 176.1
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