CID 4155322

38605-63-9

Structural Information

Molecular Formula

C₅H₁₀N₂O₃

SMILES

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

InChI

InChI=1S/C5H10N2O3/c1-5(2,3(8)9)7-4(6)10/h1-2H3,(H,8,9)(H3,6,7,10)

InChIKey

FMXWPTBQTITILA-UHFFFAOYSA-N

Compound name

2-(carbamoylamino)-2-methylpropanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 64
Patents: 146.06914 Da
Monoisotopic Mass: -0.8
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]+	147.076416	129.5
[M+Na]+	169.058358	135.5
[M-H]-	145.061864	128.3
[M+NH4]+	164.102963	149.1
[M+K]+	185.032298	135.7
[M+H-H2O]+	129.066400	124.9
[M+HCOO]-	191.067341	151.0
[M+CH3COO]-	205.082991	176.3
[M+Na-2H]-	167.043806	134.1
[M]+	146.06859142	126.7
[M]-	146.06968858	126.7

Literature stripe

literature stripe

Patent stripe

patents stripe