CID 122519739

1626394-43-1

Structural Information

Molecular Formula
C11H19NO2
SMILES
CCOC(=O)[C@@H]1[C@H](C2CCC1CC2)N
InChI
InChI=1S/C11H19NO2/c1-2-14-11(13)9-7-3-5-8(6-4-7)10(9)12/h7-10H,2-6,12H2,1H3/t7?,8?,9-,10-/m0/s1
InChIKey
CFRDVZHAVFJIFL-QLEHZGMVSA-N
Compound name
ethyl (2S,3S)-3-aminobicyclo[2.2.2]octane-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

65
Patents

197.14159 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.148866 145.1
[M+Na]+ 220.130808 148.4
[M-H]- 196.134314 141.1
[M+NH4]+ 215.175413 168.5
[M+K]+ 236.104748 146.8
[M+H-H2O]+ 180.138850 140.9
[M+HCOO]- 242.139791 156.4
[M+CH3COO]- 256.155441 192.5
[M+Na-2H]- 218.116256 153.1
[M]+ 197.14104142 145.1
[M]- 197.14213858 145.1
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