CID 549112

36191-26-1

Structural Information

Molecular Formula

C₁₀H₁₃N

SMILES

C1C=CCC23C1(N2)CC=CC3

InChI

InChI=1S/C10H13N/c1-2-6-10-8-4-3-7-9(10,5-1)11-10/h1-4,11H,5-8H2

InChIKey

DUYZYBHSKXBARX-UHFFFAOYSA-N

Compound name

11-azatricyclo[4.4.1.01,6]undeca-3,8-diene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 147.1048 Da
Monoisotopic Mass: 1.6
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]+	148.11208	136.8
[M+Na]+	170.09402	145.0
[M-H]-	146.09752	141.5
[M+NH4]+	165.13862	155.6
[M+K]+	186.06796	142.8
[M+H-H2O]+	130.10206	130.3
[M+HCOO]-	192.10300	154.4
[M+CH3COO]-	206.11865	148.9
[M+Na-2H]-	168.07947	146.5
[M]+	147.10425	133.6
[M]-	147.10535	133.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.