CID 2736229

3644-18-6

Structural Information

Molecular Formula

C₈H₁₉N₃

SMILES

CN(C)CCN1CCNCC1

InChI

InChI=1S/C8H19N3/c1-10(2)7-8-11-5-3-9-4-6-11/h9H,3-8H2,1-2H3

InChIKey

LGDNSGSJKBIVFG-UHFFFAOYSA-N

Compound name

N,N-dimethyl-2-piperazin-1-ylethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 1663
Patents: 157.1579 Da
Monoisotopic Mass: -0.4
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	142.1
[M-H]-	156.150624	138.1
[M+NH4]+	175.191723	156.2
[M+K]+	196.121058	141.5
[M+H-H2O]+	140.155160	130.8
[M+HCOO]-	202.156101	156.5
[M+CH3COO]-	216.171751	180.5
[M+Na-2H]-	178.132566	143.4
[M]+	157.15735142	133.4
[M]-	157.15844858	133.4

Literature stripe

literature stripe

Patent stripe

patents stripe