CID 12471321

2-azabicyclo[3.2.1]octane

Structural Information

Molecular Formula

C₇H₁₃N

SMILES

C1CC2CC1CCN2

InChI

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

InChIKey

ASUQYWCXZRNVRW-UHFFFAOYSA-N

Compound name

2-azabicyclo[3.2.1]octane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 889
Patents: 111.1048 Da
Monoisotopic Mass: 1.1
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	123.5
[M+Na]+	134.09402	129.0
[M-H]-	110.09752	122.8
[M+NH4]+	129.13862	147.4
[M+K]+	150.06796	126.8
[M+H-H2O]+	94.102060	118.2
[M+HCOO]-	156.10300	140.6
[M+CH3COO]-	170.11865	135.9
[M+Na-2H]-	132.07947	129.8
[M]+	111.10425	117.0
[M]-	111.10535	117.0

Literature stripe

literature stripe

Patent stripe

patents stripe