CID 145867310

2375259-63-3

Structural Information

Molecular Formula

C₈H₁₃NO₂

SMILES

CCOC(=O)C12CC(C1)NC2

InChI

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

InChIKey

OEQREFVMJBYLSX-UHFFFAOYSA-N

Compound name

ethyl 2-azabicyclo[2.1.1]hexane-4-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 155.09464 Da
Monoisotopic Mass: 0.2
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	130.2
[M+Na]+	178.08386	132.7
[M+NH4]+	173.12846	136.5
[M+K]+	194.05780	132.0
[M-H]-	154.08736	123.9
[M+Na-2H]-	176.06931	126.9
[M]+	155.09409	127.3
[M]-	155.09519	127.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.