CID 3044815

Alpha-phenyl-alpha-(thien-2-yl)-3-quinuclidinemethanol hydrochloride

Structural Information

Molecular Formula
C18H21NOS
SMILES
C1CN2CCC1C(C2)C(C3=CC=CC=C3)(C4=CC=CS4)O
InChI
InChI=1S/C18H21NOS/c20-18(17-7-4-12-21-17,15-5-2-1-3-6-15)16-13-19-10-8-14(16)9-11-19/h1-7,12,14,16,20H,8-11,13H2
InChIKey
IPKLUCDIJUDRKF-UHFFFAOYSA-N
Compound name
1-azabicyclo[2.2.2]octan-3-yl-phenyl-thiophen-2-ylmethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

299.1344 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.14168 165.0
[M+Na]+ 322.12362 168.3
[M-H]- 298.12712 164.8
[M+NH4]+ 317.16822 184.6
[M+K]+ 338.09756 164.0
[M+H-H2O]+ 282.13166 159.5
[M+HCOO]- 344.13260 169.6
[M+CH3COO]- 358.14825 173.4
[M+Na-2H]- 320.10907 172.6
[M]+ 299.13385 166.1
[M]- 299.13495 166.1
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.