CID 12336895

3-quinuclidyl 2'-thienyl carbinol hydrochloride

Structural Information

Molecular Formula
C12H17NOS
SMILES
C1CN2CCC1C(C2)C(C3=CC=CS3)O
InChI
InChI=1S/C12H17NOS/c14-12(11-2-1-7-15-11)10-8-13-5-3-9(10)4-6-13/h1-2,7,9-10,12,14H,3-6,8H2
InChIKey
VBIAFUDLYSNRLX-UHFFFAOYSA-N
Compound name
1-azabicyclo[2.2.2]octan-3-yl(thiophen-2-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

223.10309 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.110366 145.8
[M+Na]+ 246.092308 149.7
[M-H]- 222.095814 142.8
[M+NH4]+ 241.136913 168.8
[M+K]+ 262.066248 147.0
[M+H-H2O]+ 206.100350 141.7
[M+HCOO]- 268.101291 151.2
[M+CH3COO]- 282.116941 155.5
[M+Na-2H]- 244.077756 152.0
[M]+ 223.10254142 147.2
[M]- 223.10363858 147.2
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.