CID 70284

2-(4-methylpiperazin-1-yl)ethanamine

Structural Information

Molecular Formula

C₇H₁₇N₃

SMILES

CN1CCN(CC1)CCN

InChI

InChI=1S/C7H17N3/c1-9-4-6-10(3-2-8)7-5-9/h2-8H2,1H3

InChIKey

GOWUDHPKGOIDIX-UHFFFAOYSA-N

Compound name

2-(4-methylpiperazin-1-yl)ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 2807
Patents: 143.14224 Da
Monoisotopic Mass: -0.9
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]+	144.149516	134.2
[M+Na]+	166.131458	139.5
[M-H]-	142.134964	133.7
[M+NH4]+	161.176063	152.5
[M+K]+	182.105398	138.2
[M+H-H2O]+	126.139500	126.8
[M+HCOO]-	188.140441	152.8
[M+CH3COO]-	202.156091	177.0
[M+Na-2H]-	164.116906	139.0
[M]+	143.14169142	128.7
[M]-	143.14278858	128.7

Literature stripe

literature stripe

Patent stripe

patents stripe