CID 3045423

(3-quinuclidyl)phenyl-(2-tolyl)carbinol

Structural Information

Molecular Formula
C21H25NO
SMILES
CC1=CC=CC=C1C(C2CN3CCC2CC3)(C4=CC=CC=C4)O
InChI
InChI=1S/C21H25NO/c1-16-7-5-6-10-19(16)21(23,18-8-3-2-4-9-18)20-15-22-13-11-17(20)12-14-22/h2-10,17,20,23H,11-15H2,1H3
InChIKey
GCKYBRTUYSPDTP-UHFFFAOYSA-N
Compound name
1-azabicyclo[2.2.2]octan-3-yl-(2-methylphenyl)-phenylmethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 173.0
[M+Na]+ 330.18282 175.0
[M-H]- 306.18632 172.4
[M+NH4]+ 325.22742 189.4
[M+K]+ 346.15676 169.5
[M+H-H2O]+ 290.19086 164.4
[M+HCOO]- 352.19180 179.6
[M+CH3COO]- 366.20745 180.2
[M+Na-2H]- 328.16827 182.3
[M]+ 307.19305 170.9
[M]- 307.19415 170.9
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

No patent data available for this compound.