CID 3052001

(exo,exo)-1-(8-methyl-2-(2-thienyl)-8-azabicyclo(3.2.1)octan-3-yl)ethanone hydrochloride

Structural Information

Molecular Formula
C14H19NOS
SMILES
CC(=O)C1CC2CCC(C1C3=CC=CS3)N2C
InChI
InChI=1S/C14H19NOS/c1-9(16)11-8-10-5-6-12(15(10)2)14(11)13-4-3-7-17-13/h3-4,7,10-12,14H,5-6,8H2,1-2H3
InChIKey
NRIJCNRWRNIFAB-UHFFFAOYSA-N
Compound name
1-(8-methyl-2-thiophen-2-yl-8-azabicyclo[3.2.1]octan-3-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

249.11873 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.12601 157.6
[M+Na]+ 272.10795 167.3
[M+NH4]+ 267.15255 167.4
[M+K]+ 288.08189 162.4
[M-H]- 248.11145 160.0
[M+Na-2H]- 270.09340 159.7
[M]+ 249.11818 160.0
[M]- 249.11928 160.0
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

patents stripe