CID 441021

1190-46-1

Structural Information

Molecular Formula

C₆H₁₂N₂O₃

SMILES

CC(=O)NCC[C@@H](C(=O)O)N

InChI

InChI=1S/C6H12N2O3/c1-4(9)8-3-2-5(7)6(10)11/h5H,2-3,7H2,1H3,(H,8,9)(H,10,11)/t5-/m0/s1

InChIKey

YLZRFVZUZIJABA-YFKPBYRVSA-N

Compound name

(2S)-4-acetamido-2-aminobutanoic acid

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 206
Patents: 160.0848 Da
Monoisotopic Mass: -4.4
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]+	161.09208	135.2
[M+Na]+	183.07402	140.9
[M+NH4]+	178.11862	140.3
[M+K]+	199.04796	139.2
[M-H]-	159.07752	132.7
[M+Na-2H]-	181.05947	135.7
[M]+	160.08425	134.5
[M]-	160.08535	134.5

Literature stripe

literature stripe

Patent stripe

patents stripe