CID 16228805

Ethyl (1r,3s,4s)-2-azabicyclo[2.2.2]octane-3-carboxylate hydrochloride

Structural Information

Molecular Formula
C10H17NO2
SMILES
CCOC(=O)[C@@H]1C2CCC(N1)CC2
InChI
InChI=1S/C10H17NO2/c1-2-13-10(12)9-7-3-5-8(11-9)6-4-7/h7-9,11H,2-6H2,1H3/t7?,8?,9-/m0/s1
InChIKey
WWRUCFABCHBARW-HACHORDNSA-N
Compound name
ethyl (3S)-2-azabicyclo[2.2.2]octane-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

40
Patents

183.12593 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.133206 141.4
[M+Na]+ 206.115148 144.6
[M-H]- 182.118654 135.1
[M+NH4]+ 201.159753 163.6
[M+K]+ 222.089088 142.7
[M+H-H2O]+ 166.123190 136.6
[M+HCOO]- 228.124131 150.0
[M+CH3COO]- 242.139781 150.8
[M+Na-2H]- 204.100596 150.7
[M]+ 183.12538142 141.2
[M]- 183.12647858 141.2
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

patents stripe