CID 98134

10553-85-2

Structural Information

Molecular Formula

C₉H₁₈N₄

SMILES

C1CNC2CCNC3N2C1NCC3

InChI

InChI=1S/C9H18N4/c1-4-10-8-3-6-12-9-2-5-11-7(1)13(8)9/h7-12H,1-6H2

InChIKey

ZNJURNUHQCGRLX-UHFFFAOYSA-N

Compound name

2,6,10,13-tetrazatricyclo[7.3.1.05,13]tridecane

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 6
References: 51
Patents: 182.15315 Da
Monoisotopic Mass: -0.1
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]+	183.160426	145.9
[M+Na]+	205.142368	148.7
[M-H]-	181.145874	138.7
[M+NH4]+	200.186973	159.8
[M+K]+	221.116308	143.4
[M+H-H2O]+	165.150410	136.9
[M+HCOO]-	227.151351	150.1
[M+CH3COO]-	241.167001	152.7
[M+Na-2H]-	203.127816	151.1
[M]+	182.15260142	132.2
[M]-	182.15369858	132.2

Literature stripe

literature stripe

Patent stripe

patents stripe