CID 12641659

67705-41-3

Structural Information

Molecular Formula

C₁₀H₁₉N₃

SMILES

C1CN2CCCN3C2N(C1)CCC3

InChI

InChI=1S/C10H19N3/c1-4-11-6-2-8-13-9-3-7-12(5-1)10(11)13/h10H,1-9H2

InChIKey

WUWQBKOLOTXDFK-UHFFFAOYSA-N

Compound name

1,5,9-triazatricyclo[7.3.1.05,13]tridecane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 14
Patents: 181.1579 Da
Monoisotopic Mass: 1.0
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]+	182.16518	143.4
[M+Na]+	204.14712	146.7
[M-H]-	180.15062	141.5
[M+NH4]+	199.19172	160.8
[M+K]+	220.12106	144.0
[M+H-H2O]+	164.15516	134.0
[M+HCOO]-	226.15610	153.1
[M+CH3COO]-	240.17175	152.5
[M+Na-2H]-	202.13257	149.4
[M]+	181.15735	134.7
[M]-	181.15845	134.7

Literature stripe

literature stripe

Patent stripe

patents stripe