CID 105426929

4-methyl-2-azabicyclo[2.1.1]hexane hydrochloride

Structural Information

Molecular Formula

C₆H₁₁N

SMILES

CC12CC(C1)NC2

InChI

InChI=1S/C6H11N/c1-6-2-5(3-6)7-4-6/h5,7H,2-4H2,1H3

InChIKey

LOWVAFXDECIOMV-UHFFFAOYSA-N

Compound name

4-methyl-2-azabicyclo[2.1.1]hexane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 97.08915 Da
Monoisotopic Mass: 0.8
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]+	98.096426	113.2
[M+Na]+	120.07837	117.4
[M+NH4]+	115.12297	121.3
[M+K]+	136.05231	115.6
[M-H]-	96.081874	108.5
[M+Na-2H]-	118.06382	111.9
[M]+	97.088601	111.2
[M]-	97.089699	111.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.