CID 16775276

223786-04-7

Structural Information

Molecular Formula

C₁₀H₁₃N₃O

SMILES

C1CN(CC(=O)N1)C2=CC=C(C=C2)N

InChI

InChI=1S/C10H13N3O/c11-8-1-3-9(4-2-8)13-6-5-12-10(14)7-13/h1-4H,5-7,11H2,(H,12,14)

InChIKey

PZAWODZZVTUFBG-UHFFFAOYSA-N

Compound name

4-(4-aminophenyl)piperazin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 107
Patents: 191.10587 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]+	192.11315	142.5
[M+Na]+	214.09509	154.3
[M+NH4]+	209.13969	150.1
[M+K]+	230.06903	148.3
[M-H]-	190.09859	145.4
[M+Na-2H]-	212.08054	149.2
[M]+	191.10532	144.7
[M]-	191.10642	144.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe