CID 3045615

Alpha-phenyl-3-quinuclidinemethanol

Structural Information

Molecular Formula
C14H19NO
SMILES
C1CN2CCC1C(C2)C(C3=CC=CC=C3)O
InChI
InChI=1S/C14H19NO/c16-14(12-4-2-1-3-5-12)13-10-15-8-6-11(13)7-9-15/h1-5,11,13-14,16H,6-10H2
InChIKey
XQCDUXAZTYLSRI-UHFFFAOYSA-N
Compound name
1-azabicyclo[2.2.2]octan-3-yl(phenyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

217.14667 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.15395 147.4
[M+Na]+ 240.13589 149.8
[M-H]- 216.13939 144.1
[M+NH4]+ 235.18049 167.8
[M+K]+ 256.10983 146.3
[M+H-H2O]+ 200.14393 140.7
[M+HCOO]- 262.14487 155.9
[M+CH3COO]- 276.16052 156.3
[M+Na-2H]- 238.12134 157.0
[M]+ 217.14612 145.3
[M]- 217.14722 145.3
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