CID 89848428

2416218-09-0

Structural Information

Molecular Formula

C₈H₁₃NO₂

SMILES

CCOC(=O)[C@]12C[C@H]1CNC2

InChI

InChI=1S/C8H13NO2/c1-2-11-7(10)8-3-6(8)4-9-5-8/h6,9H,2-5H2,1H3/t6-,8-/m0/s1

InChIKey

KYOYTSMQIIGIRI-XPUUQOCRSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 17
Patents: 155.09464 Da
Monoisotopic Mass: 0.0
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	137.7
[M+Na]+	178.08386	146.9
[M-H]-	154.08736	140.2
[M+NH4]+	173.12846	156.4
[M+K]+	194.05780	144.4
[M+H-H2O]+	138.09190	132.8
[M+HCOO]-	200.09284	156.7
[M+CH3COO]-	214.10849	175.7
[M+Na-2H]-	176.06931	143.1
[M]+	155.09409	139.4
[M]-	155.09519	139.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe