CID 70914

N-acetyl-l-glutamic acid

Structural Information

Molecular Formula

C₇H₁₁NO₅

SMILES

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

InChI

InChI=1S/C7H11NO5/c1-4(9)8-5(7(12)13)2-3-6(10)11/h5H,2-3H2,1H3,(H,8,9)(H,10,11)(H,12,13)/t5-/m0/s1

InChIKey

RFMMMVDNIPUKGG-YFKPBYRVSA-N

Compound name

(2S)-2-acetamidopentanedioic acid

Related CIDs

2D Structure

compound 2d structure

8
Annotation Hits: 369
References: 7401
Patents: 189.06372 Da
Monoisotopic Mass: -1.8
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]+	190.070996	139.6
[M+Na]+	212.052938	144.4
[M-H]-	188.056444	137.0
[M+NH4]+	207.097543	156.9
[M+K]+	228.026878	144.7
[M+H-H2O]+	172.060980	134.4
[M+HCOO]-	234.061921	158.8
[M+CH3COO]-	248.077571	180.5
[M+Na-2H]-	210.038386	140.3
[M]+	189.06317142	139.0
[M]-	189.06426858	139.0

Literature stripe

literature stripe

Patent stripe

patents stripe