CID 72823

1-aminohydantoin

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

2
Annotation Hits: 26
References: 691
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]+	116.045456	119.7
[M+Na]+	138.027398	128.5
[M-H]-	114.030904	119.2
[M+NH4]+	133.072003	140.2
[M+K]+	154.001338	127.0
[M+H-H2O]+	98.035440	113.5
[M+HCOO]-	160.036381	141.0
[M+CH3COO]-	174.052031	165.6
[M+Na-2H]-	136.012846	124.0
[M]+	115.03763142	114.7
[M]-	115.03872858	114.7

Literature stripe

literature stripe

Patent stripe

patents stripe