CID 1514453

174456-77-0

Structural Information

Molecular Formula
C8H13NO2
SMILES
CCOC(=O)C1[C@H]2[C@@H]1CNC2
InChI
InChI=1S/C8H13NO2/c1-2-11-8(10)7-5-3-9-4-6(5)7/h5-7,9H,2-4H2,1H3/t5-,6+,7?
InChIKey
LLYQBDZAXNIXQC-MEKDEQNOSA-N
Compound name
ethyl (1S,5R)-3-azabicyclo[3.1.0]hexane-6-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

124
Patents

155.09464 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.101916 136.4
[M+Na]+ 178.083858 145.7
[M-H]- 154.087364 138.9
[M+NH4]+ 173.128463 153.4
[M+K]+ 194.057798 142.3
[M+H-H2O]+ 138.091900 130.7
[M+HCOO]- 200.092841 155.7
[M+CH3COO]- 214.108491 177.3
[M+Na-2H]- 176.069306 140.2
[M]+ 155.09409142 138.1
[M]- 155.09518858 138.1
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