CID 20825298

1392803-66-5

Structural Information

Molecular Formula

C₇H₁₁NO₂

SMILES

COC(=O)C12CC(C1)CN2

InChI

InChI=1S/C7H11NO2/c1-10-6(9)7-2-5(3-7)4-8-7/h5,8H,2-4H2,1H3

InChIKey

PMQOKQDKGFHFLI-UHFFFAOYSA-N

Compound name

methyl 2-azabicyclo[2.1.1]hexane-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 141.07898 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]+	142.08626	125.8
[M+Na]+	164.06820	128.6
[M+NH4]+	159.11280	132.2
[M+K]+	180.04214	128.1
[M-H]-	140.07170	119.6
[M+Na-2H]-	162.05365	122.8
[M]+	141.07843	123.0
[M]-	141.07953	123.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe