CID 549240

7-azabicyclo[4.1.0]heptane

Structural Information

Molecular Formula

C₆H₁₁N

SMILES

C1CCC2C(C1)N2

InChI

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

InChIKey

DINLIZUFVHTMDX-UHFFFAOYSA-N

Compound name

7-azabicyclo[4.1.0]heptane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 7
References: 225
Patents: 97.08915 Da
Monoisotopic Mass: 0.9
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	119.8
[M+Na]+	120.07837	132.4
[M+NH4]+	115.12297	130.2
[M+K]+	136.05231	127.5
[M-H]-	96.081874	128.3
[M+Na-2H]-	118.06382	127.6
[M]+	97.088601	125.0
[M]-	97.089699	125.0

Literature stripe

literature stripe

Patent stripe

patents stripe