CID 84046935

1623729-33-8

Structural Information

Molecular Formula

C₉H₁₉N₃

SMILES

CN1CC(C1)CN2CCNCC2

InChI

InChI=1S/C9H19N3/c1-11-6-9(7-11)8-12-4-2-10-3-5-12/h9-10H,2-8H2,1H3

InChIKey

JYAIHMSMDNEFSC-UHFFFAOYSA-N

Compound name

1-[(1-methylazetidin-3-yl)methyl]piperazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 169.1579 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]+	170.16518	139.8
[M+Na]+	192.14712	143.3
[M-H]-	168.15062	139.6
[M+NH4]+	187.19172	149.0
[M+K]+	208.12106	144.0
[M+H-H2O]+	152.15516	126.3
[M+HCOO]-	214.15610	153.0
[M+CH3COO]-	228.17175	180.9
[M+Na-2H]-	190.13257	143.4
[M]+	169.15735	141.4
[M]-	169.15845	141.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe