CID 118937892

N-methylbicyclo[1.1.1]pentan-1-amine hydrochloride

Structural Information

Molecular Formula

C₆H₁₁N

SMILES

CNC12CC(C1)C2

InChI

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

InChIKey

ZSDHJVSLDBAWFH-UHFFFAOYSA-N

Compound name

N-methylbicyclo[1.1.1]pentan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 48
Patents: 97.08915 Da
Monoisotopic Mass: 0.6
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	133.8
[M+Na]+	120.078368	137.7
[M-H]-	96.081874	137.2
[M+NH4]+	115.122973	141.0
[M+K]+	136.052308	144.1
[M+H-H2O]+	80.086410	120.2
[M+HCOO]-	142.087351	148.7
[M+CH3COO]-	156.103001	201.1
[M+Na-2H]-	118.063816	142.0
[M]+	97.08860142	157.2
[M]-	97.08969858	157.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe