CID 137966065

2230803-19-5

Structural Information

Molecular Formula

C₁₀H₁₈N₂

SMILES

CN1CC23CCCC2(C1)CNC3

InChI

InChI=1S/C10H18N2/c1-12-7-9-3-2-4-10(9,8-12)6-11-5-9/h11H,2-8H2,1H3

InChIKey

CNPMZLTZZBMNLH-UHFFFAOYSA-N

Compound name

3-methyl-3,7-diazatricyclo[3.3.3.01,5]undecane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 166.147 Da
Monoisotopic Mass: 0.6
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]+	167.154276	141.0
[M+Na]+	189.136218	147.4
[M-H]-	165.139724	143.7
[M+NH4]+	184.180823	167.9
[M+K]+	205.110158	144.9
[M+H-H2O]+	149.144260	134.4
[M+HCOO]-	211.145201	158.4
[M+CH3COO]-	225.160851	153.1
[M+Na-2H]-	187.121666	142.5
[M]+	166.14645142	134.5
[M]-	166.14754858	134.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.