CID 20078048

7-azabicyclo[4.1.1]octane hydrochloride

Structural Information

Molecular Formula

C₇H₁₃N

SMILES

C1CCC2CC(C1)N2

InChI

InChI=1S/C7H13N/c1-2-4-7-5-6(3-1)8-7/h6-8H,1-5H2

InChIKey

BKLRNFLARDHBOG-UHFFFAOYSA-N

Compound name

7-azabicyclo[4.1.1]octane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 68
Patents: 111.1048 Da
Monoisotopic Mass: 1.3
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]+	112.11208	140.6
[M+Na]+	134.09402	147.8
[M-H]-	110.09752	141.7
[M+NH4]+	129.13862	157.2
[M+K]+	150.06796	146.0
[M+H-H2O]+	94.102060	139.0
[M+HCOO]-	156.10300	152.1
[M+CH3COO]-	170.11865	150.6
[M+Na-2H]-	132.07947	150.2
[M]+	111.10425	144.3
[M]-	111.10535	144.3

Literature stripe

literature stripe

Patent stripe

patents stripe