CID 6389270

97565-24-7

Structural Information

Molecular Formula

C₁₀H₂₀N₄O₂

SMILES

C1CNCCNC(=O)CCNCCNC1=O

InChI

InChI=1S/C10H20N4O2/c15-9-1-3-11-5-8-14-10(16)2-4-12-6-7-13-9/h11-12H,1-8H2,(H,13,15)(H,14,16)

InChIKey

ADQVHJIRVCAHMY-UHFFFAOYSA-N

Compound name

1,4,8,11-tetrazacyclotetradecane-5,12-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 20
Patents: 228.15863 Da
Monoisotopic Mass: -2.4
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]+	229.16591	153.6
[M+Na]+	251.14785	160.2
[M+NH4]+	246.19245	156.6
[M+K]+	267.12179	156.6
[M-H]-	227.15135	150.8
[M+Na-2H]-	249.13330	155.0
[M]+	228.15808	152.6
[M]-	228.15918	152.6

Literature stripe

literature stripe

Patent stripe

patents stripe