CID 3051999

Ethyl (exo,exo)-2-(2-thienyl)-8-azabicyclo(3.2.1)octane-3-carboxylate hydrochloride

Structural Information

Molecular Formula
C14H19NO2S
SMILES
CCOC(=O)C1CC2CCC(C1C3=CC=CS3)N2
InChI
InChI=1S/C14H19NO2S/c1-2-17-14(16)10-8-9-5-6-11(15-9)13(10)12-4-3-7-18-12/h3-4,7,9-11,13,15H,2,5-6,8H2,1H3
InChIKey
KSHVQOVMUDJQBY-UHFFFAOYSA-N
Compound name
ethyl 2-thiophen-2-yl-8-azabicyclo[3.2.1]octane-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.11365 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.12093 163.0
[M+Na]+ 288.10287 169.1
[M-H]- 264.10637 166.2
[M+NH4]+ 283.14747 183.5
[M+K]+ 304.07681 165.6
[M+H-H2O]+ 248.11091 157.9
[M+HCOO]- 310.11185 174.9
[M+CH3COO]- 324.12750 173.7
[M+Na-2H]- 286.08832 160.4
[M]+ 265.11310 162.7
[M]- 265.11420 162.7
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.