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: 1761
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	128.9
[M+Na]+	155.07909	134.3
[M-H]-	131.08259	128.9
[M+NH4]+	150.12369	149.7
[M+K]+	171.05303	135.6
[M+H-H2O]+	115.08713	123.5
[M+HCOO]-	177.08807	152.0
[M+CH3COO]-	191.10372	178.9
[M+Na-2H]-	153.06454	131.8
[M]+	132.08932	127.2
[M]-	132.09042	127.2

Literature stripe

literature stripe

Patent stripe

patents stripe