CID 12774059

Dimethyl aspartic acid

Structural Information

Molecular Formula

C₆H₁₁NO₄

SMILES

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

InChI

InChI=1S/C6H11NO4/c1-7(2)4(6(10)11)3-5(8)9/h4H,3H2,1-2H3,(H,8,9)(H,10,11)/t4-/m0/s1

InChIKey

AXWJKQDGIVWVEW-BYPYZUCNSA-N

Compound name

(2S)-2-(dimethylamino)butanedioic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 306
Patents: 161.0688 Da
Monoisotopic Mass: -2.9
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]+	162.07608	133.8
[M+Na]+	184.05802	140.3
[M+NH4]+	179.10262	138.9
[M+K]+	200.03196	139.3
[M-H]-	160.06152	130.6
[M+Na-2H]-	182.04347	134.4
[M]+	161.06825	133.2
[M]-	161.06935	133.2

Literature stripe

literature stripe

Patent stripe

patents stripe