CID 54594860

1-[2-(3-amino-1h-pyrazol-1-yl)ethyl]imidazolidin-2-one

Structural Information

Molecular Formula

C₈H₁₃N₅O

SMILES

C1CN(C(=O)N1)CCN2C=CC(=N2)N

InChI

InChI=1S/C8H13N5O/c9-7-1-3-13(11-7)6-5-12-4-2-10-8(12)14/h1,3H,2,4-6H2,(H2,9,11)(H,10,14)

InChIKey

ORNNIQKRBDTCQU-UHFFFAOYSA-N

Compound name

1-[2-(3-aminopyrazol-1-yl)ethyl]imidazolidin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 195.11201 Da
Monoisotopic Mass: -1.1
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]+	196.119286	142.8
[M+Na]+	218.101228	150.4
[M-H]-	194.104734	142.8
[M+NH4]+	213.145833	159.0
[M+K]+	234.075168	147.4
[M+H-H2O]+	178.109270	133.6
[M+HCOO]-	240.110211	161.9
[M+CH3COO]-	254.125861	181.4
[M+Na-2H]-	216.086676	144.1
[M]+	195.11146142	138.6
[M]-	195.11255858	138.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.