CID 11478723

1,4,7,10-tetraazacyclotridecane

Structural Information

Molecular Formula

C₉H₂₂N₄

SMILES

C1CNCCNCCNCCNC1

InChI

InChI=1S/C9H22N4/c1-2-10-4-6-12-8-9-13-7-5-11-3-1/h10-13H,1-9H2

InChIKey

LADZJJOUGVGJHM-UHFFFAOYSA-N

Compound name

1,4,7,10-tetrazacyclotridecane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 438
Patents: 186.18445 Da
Monoisotopic Mass: -1.4
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]+	187.19173	148.3
[M+Na]+	209.17367	148.6
[M-H]-	185.17717	137.2
[M+NH4]+	204.21827	156.0
[M+K]+	225.14761	145.0
[M+H-H2O]+	169.18171	142.4
[M+HCOO]-	231.18265	154.0
[M+CH3COO]-	245.19830	153.2
[M+Na-2H]-	207.15912	150.4
[M]+	186.18390	128.8
[M]-	186.18500	128.8

Literature stripe

literature stripe

Patent stripe

patents stripe