CID 160663

Beta-ureidoisobutyric acid

Structural Information

Molecular Formula

C₅H₁₀N₂O₃

SMILES

CC(CNC(=O)N)C(=O)O

InChI

InChI=1S/C5H10N2O3/c1-3(4(8)9)2-7-5(6)10/h3H,2H2,1H3,(H,8,9)(H3,6,7,10)

InChIKey

PHENTZNALBMCQD-UHFFFAOYSA-N

Compound name

3-(carbamoylamino)-2-methylpropanoic acid

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 21
References: 104
Patents: 146.06914 Da
Monoisotopic Mass: -1.0
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]+	147.07642	130.8
[M+Na]+	169.05836	136.8
[M+NH4]+	164.10296	136.1
[M+K]+	185.03230	135.2
[M-H]-	145.06186	128.4
[M+Na-2H]-	167.04381	131.6
[M]+	146.06859	130.2
[M]-	146.06969	130.2

Literature stripe

literature stripe

Patent stripe

patents stripe