CID 12726736

21103-30-0

Structural Information

Molecular Formula

C₁₂H₁₈ClN₃

SMILES

C1CN(CCN1CCN)C2=CC(=CC=C2)Cl

InChI

InChI=1S/C12H18ClN3/c13-11-2-1-3-12(10-11)16-8-6-15(5-4-14)7-9-16/h1-3,10H,4-9,14H2

InChIKey

WIHFHFPHWYBZNU-UHFFFAOYSA-N

Compound name

2-[4-(3-chlorophenyl)piperazin-1-yl]ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 36
Patents: 239.11893 Da
Monoisotopic Mass: 1.5
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]+	240.12621	155.5
[M+Na]+	262.10815	161.6
[M-H]-	238.11165	157.8
[M+NH4]+	257.15275	170.5
[M+K]+	278.08209	156.3
[M+H-H2O]+	222.11619	147.0
[M+HCOO]-	284.11713	169.2
[M+CH3COO]-	298.13278	192.6
[M+Na-2H]-	260.09360	159.0
[M]+	239.11838	151.6
[M]-	239.11948	151.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe