CID 15456325

3-(6-chloro-2-pyridinyl)quinuclidin-3-ol hydrochloride

Structural Information

Molecular Formula
C12H15ClN2O
SMILES
C1CN2CCC1C(C2)(C3=NC(=CC=C3)Cl)O
InChI
InChI=1S/C12H15ClN2O/c13-11-3-1-2-10(14-11)12(16)8-15-6-4-9(12)5-7-15/h1-3,9,16H,4-8H2
InChIKey
CKLSYZAELUFDEB-UHFFFAOYSA-N
Compound name
3-(6-chloropyridin-2-yl)-1-azabicyclo[2.2.2]octan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.0873 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.09458 150.7
[M+Na]+ 261.07652 157.4
[M-H]- 237.08002 146.8
[M+NH4]+ 256.12112 172.3
[M+K]+ 277.05046 152.3
[M+H-H2O]+ 221.08456 143.9
[M+HCOO]- 283.08550 155.2
[M+CH3COO]- 297.10115 160.2
[M+Na-2H]- 259.06197 162.1
[M]+ 238.08675 151.8
[M]- 238.08785 151.8
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.