CID 21614503

659736-73-9

Structural Information

Molecular Formula

C₆H₁₁N

SMILES

CC12CC1CNC2

InChI

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

InChIKey

DHAYFFGRLUYHGO-UHFFFAOYSA-N

Compound name

1-methyl-3-azabicyclo[3.1.0]hexane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 109
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	122.6
[M+Na]+	120.07837	132.6
[M-H]-	96.081874	125.4
[M+NH4]+	115.12297	143.6
[M+K]+	136.05231	130.3
[M+H-H2O]+	80.086410	117.8
[M+HCOO]-	142.08735	142.7
[M+CH3COO]-	156.10300	136.4
[M+Na-2H]-	118.06382	130.2
[M]+	97.088601	122.1
[M]-	97.089699	122.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe