CID 267578

1269456-02-1

Structural Information

Molecular Formula

C₉H₁₅N

SMILES

C1CC2CC1C3C2CNC3

InChI

InChI=1S/C9H15N/c1-2-7-3-6(1)8-4-10-5-9(7)8/h6-10H,1-5H2

InChIKey

VBSDAMAWZZSZMY-UHFFFAOYSA-N

Compound name

4-azatricyclo[5.2.1.02,6]decane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 187
Patents: 137.12045 Da
Monoisotopic Mass: 1.8
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]+	138.127726	133.7
[M+Na]+	160.109668	140.3
[M-H]-	136.113174	134.6
[M+NH4]+	155.154273	161.0
[M+K]+	176.083608	137.6
[M+H-H2O]+	120.117710	129.2
[M+HCOO]-	182.118651	151.4
[M+CH3COO]-	196.134301	146.4
[M+Na-2H]-	158.095116	135.4
[M]+	137.11990142	128.8
[M]-	137.12099858	128.8

Literature stripe

literature stripe

Patent stripe

patents stripe