CID 11252376

Tert-butyl 2-azabicyclo[2.1.1]hexane-2-carboxylate

Structural Information

Molecular Formula

C₁₀H₁₇NO₂

SMILES

CC(C)(C)OC(=O)N1CC2CC1C2

InChI

InChI=1S/C10H17NO2/c1-10(2,3)13-9(12)11-6-7-4-8(11)5-7/h7-8H,4-6H2,1-3H3

InChIKey

XPVHUBNFWUIHDH-UHFFFAOYSA-N

Compound name

tert-butyl 2-azabicyclo[2.1.1]hexane-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 30
Patents: 183.12593 Da
Monoisotopic Mass: 1.7
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]+	184.13321	136.8
[M+Na]+	206.11515	139.5
[M+NH4]+	201.15975	141.6
[M+K]+	222.08909	141.1
[M-H]-	182.11865	130.5
[M+Na-2H]-	204.10060	132.1
[M]+	183.12538	133.9
[M]-	183.12648	133.9

Literature stripe

literature stripe

Patent stripe

patents stripe