CID 23279027

Bicyclo[2.1.1]hexan-1-amine hydrochloride

Structural Information

Molecular Formula

C₆H₁₁N

SMILES

C1CC2(CC1C2)N

InChI

InChI=1S/C6H11N/c7-6-2-1-5(3-6)4-6/h5H,1-4,7H2

InChIKey

LJSGYBIBMRMMTK-UHFFFAOYSA-N

Compound name

bicyclo[2.1.1]hexan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 85
Patents: 97.08915 Da
Monoisotopic Mass: 0.4
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	124.9
[M+Na]+	120.078368	131.3
[M-H]-	96.081874	126.1
[M+NH4]+	115.122973	150.2
[M+K]+	136.052308	132.4
[M+H-H2O]+	80.086410	118.3
[M+HCOO]-	142.087351	144.6
[M+CH3COO]-	156.103001	138.5
[M+Na-2H]-	118.063816	133.6
[M]+	97.08860142	134.3
[M]-	97.08969858	134.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe