CID 482886

3-methyl-2-ureido-pentanoic acid

Structural Information

Molecular Formula

C₇H₁₄N₂O₃

SMILES

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

InChI

InChI=1S/C7H14N2O3/c1-3-4(2)5(6(10)11)9-7(8)12/h4-5H,3H2,1-2H3,(H,10,11)(H3,8,9,12)

InChIKey

AXURSAQTBIXUTE-UHFFFAOYSA-N

Compound name

2-(carbamoylamino)-3-methylpentanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 21
Patents: 174.10045 Da
Monoisotopic Mass: -0.4
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]+	175.10773	139.8
[M+Na]+	197.08967	145.0
[M+NH4]+	192.13427	144.6
[M+K]+	213.06361	143.9
[M-H]-	173.09317	137.1
[M+Na-2H]-	195.07512	139.7
[M]+	174.09990	139.0
[M]-	174.10100	139.0

Literature stripe

literature stripe

Patent stripe

patents stripe