CID 12021025

Dimethyl glutamic acid

Structural Information

Molecular Formula

C₇H₁₃NO₄

SMILES

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

InChI

InChI=1S/C7H13NO4/c1-8(2)5(7(11)12)3-4-6(9)10/h5H,3-4H2,1-2H3,(H,9,10)(H,11,12)/t5-/m0/s1

InChIKey

JCHFXGIXHDRBFU-YFKPBYRVSA-N

Compound name

(2S)-2-(dimethylamino)pentanedioic acid

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 3
References: 325
Patents: 175.08446 Da
Monoisotopic Mass: -2.5
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]+	176.091736	137.8
[M+Na]+	198.073678	142.9
[M-H]-	174.077184	136.7
[M+NH4]+	193.118283	156.6
[M+K]+	214.047618	144.1
[M+H-H2O]+	158.081720	132.7
[M+HCOO]-	220.082661	158.2
[M+CH3COO]-	234.098311	182.3
[M+Na-2H]-	196.059126	139.0
[M]+	175.08391142	138.5
[M]-	175.08500858	138.5

Literature stripe

literature stripe

Patent stripe

patents stripe