CID 541650

2-amino-1-(piperazin-1-yl)ethan-1-one dihydrochloride

Structural Information

Molecular Formula

C₆H₁₃N₃O

SMILES

C1CN(CCN1)C(=O)CN

InChI

InChI=1S/C6H13N3O/c7-5-6(10)9-3-1-8-2-4-9/h8H,1-5,7H2

InChIKey

HICOHQNXBHNIFZ-UHFFFAOYSA-N

Compound name

2-amino-1-piperazin-1-ylethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 125
Patents: 143.10587 Da
Monoisotopic Mass: -1.8
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]+	144.11315	132.6
[M+Na]+	166.09509	137.0
[M-H]-	142.09859	130.7
[M+NH4]+	161.13969	149.7
[M+K]+	182.06903	135.4
[M+H-H2O]+	126.10313	125.4
[M+HCOO]-	188.10407	149.5
[M+CH3COO]-	202.11972	171.6
[M+Na-2H]-	164.08054	136.9
[M]+	143.10532	124.5
[M]-	143.10642	124.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe