CID 53621930

3-azatricyclo[4.2.1.0,2,5]nonane

Structural Information

Molecular Formula

C₈H₁₃N

SMILES

C1CC2CC1C3C2NC3

InChI

InChI=1S/C8H13N/c1-2-6-3-5(1)7-4-9-8(6)7/h5-9H,1-4H2

InChIKey

SMYDSCCMFGGJQF-UHFFFAOYSA-N

Compound name

3-azatricyclo[4.2.1.02,5]nonane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 22
Patents: 123.1048 Da
Monoisotopic Mass: 1.2
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]+	124.11208	122.8
[M+Na]+	146.09402	127.2
[M+NH4]+	141.13862	129.3
[M+K]+	162.06796	126.9
[M-H]-	122.09752	120.2
[M+Na-2H]-	144.07947	121.5
[M]+	123.10425	121.2
[M]-	123.10535	121.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe