CID 160768

10138-99-5

Structural Information

Molecular Formula

C₅H₁₂N₂O₂

SMILES

CN(C)C[C@@H](C(=O)O)N

InChI

InChI=1S/C5H12N2O2/c1-7(2)3-4(6)5(8)9/h4H,3,6H2,1-2H3,(H,8,9)/t4-/m0/s1

InChIKey

KEZRWUUMKVVUPT-BYPYZUCNSA-N

Compound name

(2S)-2-amino-3-(dimethylamino)propanoic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 12
References: 1530
Patents: 132.08987 Da
Monoisotopic Mass: -3.3
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]+	133.09715	128.3
[M+Na]+	155.07909	135.2
[M+NH4]+	150.12369	134.8
[M+K]+	171.05303	132.9
[M-H]-	131.08259	127.2
[M+Na-2H]-	153.06454	130.3
[M]+	132.08932	128.4
[M]-	132.09042	128.4

Literature stripe

literature stripe

Patent stripe

patents stripe