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 159.6
[M+Na]+ 272.10795 167.1
[M-H]- 248.11145 164.6
[M+NH4]+ 267.15255 181.7
[M+K]+ 288.08189 163.9
[M+H-H2O]+ 232.11599 154.6
[M+HCOO]- 294.11693 172.7
[M+CH3COO]- 308.13258 171.4
[M+Na-2H]- 270.09340 156.4
[M]+ 249.11818 160.1
[M]- 249.11928 160.1
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

patents stripe