CID 72823

1-aminohydantoin hydrochloride

Structural Information

Molecular Formula

C₃H₅N₃O₂

SMILES

C1C(=O)NC(=O)N1N

InChI

InChI=1S/C3H5N3O2/c4-6-1-2(7)5-3(6)8/h1,4H2,(H,5,7,8)

InChIKey

KVYKDNGUEZRPGJ-UHFFFAOYSA-N

Compound name

1-aminoimidazolidine-2,4-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 26
References: 660
Patents: 115.03818 Da
Monoisotopic Mass: -1.6
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]+	116.04546	119.7
[M+Na]+	138.02740	128.5
[M-H]-	114.03090	119.2
[M+NH4]+	133.07200	140.2
[M+K]+	154.00134	127.0
[M+H-H2O]+	98.035440	113.5
[M+HCOO]-	160.03638	141.0
[M+CH3COO]-	174.05203	165.6
[M+Na-2H]-	136.01285	124.0
[M]+	115.03763	114.7
[M]-	115.03873	114.7

Literature stripe

literature stripe

Patent stripe

patents stripe