CID 99278

Glycyl-glutamate

Structural Information

Molecular Formula

C₇H₁₂N₂O₅

SMILES

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

InChI

InChI=1S/C7H12N2O5/c8-3-5(10)9-4(7(13)14)1-2-6(11)12/h4H,1-3,8H2,(H,9,10)(H,11,12)(H,13,14)/t4-/m0/s1

InChIKey

IEFJWDNGDZAYNZ-BYPYZUCNSA-N

Compound name

(2S)-2-[(2-aminoacetyl)amino]pentanedioic acid

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 26
References: 5320
Patents: 204.07462 Da
Monoisotopic Mass: -5.0
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]+	205.08190	143.7
[M+Na]+	227.06384	147.6
[M-H]-	203.06734	140.5
[M+NH4]+	222.10844	159.7
[M+K]+	243.03778	147.7
[M+H-H2O]+	187.07188	137.8
[M+HCOO]-	249.07282	163.3
[M+CH3COO]-	263.08847	185.3
[M+Na-2H]-	225.04929	143.5
[M]+	204.07407	141.2
[M]-	204.07517	141.2

Literature stripe

literature stripe

Patent stripe

patents stripe