CID 45071972

Guanidinohydantoin

Structural Information

Molecular Formula

C₄H₇N₅O₂

SMILES

C1(C(=O)NC(=O)N1)N=C(N)N

InChI

InChI=1S/C4H7N5O2/c5-3(6)7-1-2(10)9-4(11)8-1/h1H,(H4,5,6,7)(H2,8,9,10,11)

InChIKey

AVOMHQCKYPXFNU-UHFFFAOYSA-N

Compound name

2-(2,5-dioxoimidazolidin-4-yl)guanidine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 36
References: 70
Patents: 157.05997 Da
Monoisotopic Mass: -2.3
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]+	158.06725	130.2
[M+Na]+	180.04919	136.9
[M-H]-	156.05269	129.3
[M+NH4]+	175.09379	147.9
[M+K]+	196.02313	134.8
[M+H-H2O]+	140.05723	123.0
[M+HCOO]-	202.05817	151.9
[M+CH3COO]-	216.07382	178.2
[M+Na-2H]-	178.03464	132.7
[M]+	157.05942	121.7
[M]-	157.06052	121.7

Literature stripe

literature stripe

Patent stripe

patents stripe