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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.