CID 20659800

1-(azetidin-3-yl)-4-methylpiperazine trihydrochloride

Structural Information

Molecular Formula

C₈H₁₇N₃

SMILES

CN1CCN(CC1)C2CNC2

InChI

InChI=1S/C8H17N3/c1-10-2-4-11(5-3-10)8-6-9-7-8/h8-9H,2-7H2,1H3

InChIKey

YOYKUPAOANVPBB-UHFFFAOYSA-N

Compound name

1-(azetidin-3-yl)-4-methylpiperazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 127
Patents: 155.14224 Da
Monoisotopic Mass: -0.5
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]+	156.14952	135.8
[M+Na]+	178.13146	141.9
[M+NH4]+	173.17606	139.7
[M+K]+	194.10540	138.2
[M-H]-	154.13496	134.4
[M+Na-2H]-	176.11691	138.4
[M]+	155.14169	134.8
[M]-	155.14279	134.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe