CID 20521861

3-azabicyclo[4.1.0]heptane hydrochloride

Structural Information

Molecular Formula

C₆H₁₁N

SMILES

C1CNCC2C1C2

InChI

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

InChIKey

MZFQJBMXUXJUHF-UHFFFAOYSA-N

Compound name

3-azabicyclo[4.1.0]heptane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7545
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	122.2
[M+Na]+	120.078368	130.6
[M-H]-	96.081874	124.5
[M+NH4]+	115.122973	139.6
[M+K]+	136.052308	127.9
[M+H-H2O]+	80.086410	116.1
[M+HCOO]-	142.087351	140.8
[M+CH3COO]-	156.103001	134.9
[M+Na-2H]-	118.063816	130.3
[M]+	97.08860142	119.3
[M]-	97.08969858	119.3

Literature stripe

literature stripe

Patent stripe

patents stripe