CID 7567141

74676-52-1

Structural Information

Molecular Formula

C₁₀H₂₃N₃

SMILES

C1CCNCCCNCCCNC1

InChI

InChI=1S/C10H23N3/c1-2-6-12-8-4-10-13-9-3-7-11-5-1/h11-13H,1-10H2

InChIKey

UXABFDDIKPVEBR-UHFFFAOYSA-N

Compound name

1,5,9-triazacyclotridecane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 185.1892 Da
Monoisotopic Mass: 0.3
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]+	186.196476	147.2
[M+Na]+	208.178418	147.3
[M-H]-	184.181924	138.6
[M+NH4]+	203.223023	156.9
[M+K]+	224.152358	144.5
[M+H-H2O]+	168.186460	141.7
[M+HCOO]-	230.187401	155.3
[M+CH3COO]-	244.203051	153.0
[M+Na-2H]-	206.163866	149.2
[M]+	185.18865142	129.2
[M]-	185.18974858	129.2

Literature stripe

literature stripe

Patent stripe

patents stripe