CID 84074018

2-azabicyclo[2.1.1]hexane-1-carboxamide

Structural Information

Molecular Formula

C₆H₁₀N₂O

SMILES

C1C2CC1(NC2)C(=O)N

InChI

InChI=1S/C6H10N2O/c7-5(9)6-1-4(2-6)3-8-6/h4,8H,1-3H2,(H2,7,9)

InChIKey

WMPZXWYQVLSYIB-UHFFFAOYSA-N

Compound name

2-azabicyclo[2.1.1]hexane-1-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 126.079315 Da
Monoisotopic Mass: -0.9
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]+	127.08659	122.8
[M+Na]+	149.06853	124.6
[M+NH4]+	144.11314	129.2
[M+K]+	165.04247	124.4
[M-H]-	125.07204	117.1
[M+Na-2H]-	147.05398	119.7
[M]+	126.07877	119.9
[M]-	126.07986	119.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe