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

41
Patents

183.12593 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.13321 141.4
[M+Na]+ 206.11515 144.6
[M-H]- 182.11865 135.1
[M+NH4]+ 201.15975 163.6
[M+K]+ 222.08909 142.7
[M+H-H2O]+ 166.12319 136.6
[M+HCOO]- 228.12413 150.0
[M+CH3COO]- 242.13978 150.8
[M+Na-2H]- 204.10060 150.7
[M]+ 183.12538 141.2
[M]- 183.12648 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