CID 10020

Hydantoic acid

Structural Information

Molecular Formula

C₃H₆N₂O₃

SMILES

C(C(=O)O)NC(=O)N

InChI

InChI=1S/C3H6N2O3/c4-3(8)5-1-2(6)7/h1H2,(H,6,7)(H3,4,5,8)

InChIKey

KZVRXPPUJQRGFN-UHFFFAOYSA-N

Compound name

2-(carbamoylamino)acetic acid

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 20
References: 1619
Patents: 118.03784 Da
Monoisotopic Mass: -1.4
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]+	119.04512	120.9
[M+Na]+	141.02706	127.3
[M-H]-	117.03056	119.8
[M+NH4]+	136.07166	141.5
[M+K]+	157.00100	127.6
[M+H-H2O]+	101.03510	115.9
[M+HCOO]-	163.03604	144.7
[M+CH3COO]-	177.05169	169.9
[M+Na-2H]-	139.01251	125.7
[M]+	118.03729	117.9
[M]-	118.03839	117.9

Literature stripe

literature stripe

Patent stripe

patents stripe