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: 1
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]+	156.101916	141.7
[M+Na]+	178.083858	147.2
[M-H]-	154.087364	140.2
[M+NH4]+	173.128463	163.0
[M+K]+	194.057798	148.4
[M+H-H2O]+	138.091900	134.5
[M+HCOO]-	200.092841	157.2
[M+CH3COO]-	214.108491	178.4
[M+Na-2H]-	176.069306	148.0
[M]+	155.09409142	153.5
[M]-	155.09518858	153.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.