CID 9920597

N-(gamma-glutamyl)ethanolamine

Structural Information

Molecular Formula

C₇H₁₄N₂O₄

SMILES

C(CC(=O)NCCO)[C@@H](C(=O)O)N

InChI

InChI=1S/C7H14N2O4/c8-5(7(12)13)1-2-6(11)9-3-4-10/h5,10H,1-4,8H2,(H,9,11)(H,12,13)/t5-/m0/s1

InChIKey

DGBJQQBLTDLFMF-YFKPBYRVSA-N

Compound name

(2S)-2-amino-5-(2-hydroxyethylamino)-5-oxopentanoic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 188
Patents: 190.09535 Da
Monoisotopic Mass: -4.6
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]+	191.10263	142.5
[M+Na]+	213.08457	146.9
[M+NH4]+	208.12917	146.4
[M+K]+	229.05851	145.8
[M-H]-	189.08807	138.8
[M+Na-2H]-	211.07002	141.6
[M]+	190.09480	141.1
[M]-	190.09590	141.1

Literature stripe

literature stripe

Patent stripe

patents stripe