CID 3051997

(+-)-methyl (1rs-exo,exo)-8-methyl-2-(2-thienyl)-8-azabicyclo(3.2.1)octane-3-carboxylate hcl

Structural Information

Molecular Formula
C14H19NO2S
SMILES
CN1C2CCC1C(C(C2)C(=O)OC)C3=CC=CS3
InChI
InChI=1S/C14H19NO2S/c1-15-9-5-6-11(15)13(12-4-3-7-18-12)10(8-9)14(16)17-2/h3-4,7,9-11,13H,5-6,8H2,1-2H3
InChIKey
OLEIJRADUVUZDK-UHFFFAOYSA-N
Compound name
methyl 8-methyl-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

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.12093 163.0
[M+Na]+ 288.10287 170.4
[M-H]- 264.10637 168.0
[M+NH4]+ 283.14747 184.5
[M+K]+ 304.07681 167.7
[M+H-H2O]+ 248.11091 158.0
[M+HCOO]- 310.11185 176.3
[M+CH3COO]- 324.12750 174.7
[M+Na-2H]- 286.08832 160.1
[M]+ 265.11310 164.9
[M]- 265.11420 164.9
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.