CID 3421228

4-ethylglutamic acid hydrochloride

Structural Information

Molecular Formula

C₇H₁₃NO₄

SMILES

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

InChI

InChI=1S/C7H13NO4/c1-2-4(6(9)10)3-5(8)7(11)12/h4-5H,2-3,8H2,1H3,(H,9,10)(H,11,12)

InChIKey

JPMICTZIAZZHCD-UHFFFAOYSA-N

Compound name

2-amino-4-ethylpentanedioic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 30
Patents: 175.08446 Da
Monoisotopic Mass: -2.6
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]+	176.09174	138.8
[M+Na]+	198.07368	144.2
[M+NH4]+	193.11828	143.2
[M+K]+	214.04762	143.5
[M-H]-	174.07718	134.8
[M+Na-2H]-	196.05913	138.0
[M]+	175.08391	137.6
[M]-	175.08501	137.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe