CID 237657

3-methylglutamic acid

Structural Information

Molecular Formula

C₆H₁₁NO₄

SMILES

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

InChI

InChI=1S/C6H11NO4/c1-3(2-4(8)9)5(7)6(10)11/h3,5H,2,7H2,1H3,(H,8,9)(H,10,11)

InChIKey

FHJNAFIJPFGZRI-UHFFFAOYSA-N

Compound name

2-amino-3-methylpentanedioic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 12
References: 671
Patents: 161.0688 Da
Monoisotopic Mass: -3.1
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	134.6
[M+Na]+	184.05802	139.6
[M-H]-	160.06152	131.6
[M+NH4]+	179.10262	152.8
[M+K]+	200.03196	139.8
[M+H-H2O]+	144.06606	129.7
[M+HCOO]-	206.06700	153.0
[M+CH3COO]-	220.08265	176.3
[M+Na-2H]-	182.04347	134.5
[M]+	161.06825	131.8
[M]-	161.06935	131.8

Literature stripe

literature stripe

Patent stripe

patents stripe