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 (1R,5S)-3-azabicyclo[3.1.0]hexane-6-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 68
Patents: 155.09464 Da
Monoisotopic Mass: 0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	156.10192	134.5
[M+Na]+	178.08386	145.0
[M+NH4]+	173.12846	143.0
[M+K]+	194.05780	143.3
[M-H]-	154.08736	140.8
[M+Na-2H]-	176.06931	139.2
[M]+	155.09409	138.6
[M]-	155.09519	138.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe