CID 776622

2-(4-ethylpiperazin-1-yl)ethan-1-amine

Structural Information

Molecular Formula

C₈H₁₉N₃

SMILES

CCN1CCN(CC1)CCN

InChI

InChI=1S/C8H19N3/c1-2-10-5-7-11(4-3-9)8-6-10/h2-9H2,1H3

InChIKey

SHUQIGHJQMJUHB-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 166
Patents: 157.1579 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]+	158.165176	138.6
[M+Na]+	180.147118	143.5
[M-H]-	156.150624	138.0
[M+NH4]+	175.191723	156.4
[M+K]+	196.121058	141.9
[M+H-H2O]+	140.155160	131.1
[M+HCOO]-	202.156101	156.9
[M+CH3COO]-	216.171751	180.0
[M+Na-2H]-	178.132566	142.9
[M]+	157.15735142	133.5
[M]-	157.15844858	133.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe