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: 173
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]+	138.12773	133.7
[M+Na]+	160.10967	140.3
[M-H]-	136.11317	134.6
[M+NH4]+	155.15427	161.0
[M+K]+	176.08361	137.6
[M+H-H2O]+	120.11771	129.2
[M+HCOO]-	182.11865	151.4
[M+CH3COO]-	196.13430	146.4
[M+Na-2H]-	158.09512	135.4
[M]+	137.11990	128.8
[M]-	137.12100	128.8

Literature stripe

literature stripe

Patent stripe

patents stripe