CID 3082305

H-glu(oet)-oh

Structural Information

Molecular Formula

C₇H₁₃NO₄

SMILES

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

InChI

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

InChIKey

XMQUEQJCYRFIQS-YFKPBYRVSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 30
References: 28836
Patents: 175.08446 Da
Monoisotopic Mass: -3.0
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]+	176.09174	138.4
[M+Na]+	198.07368	144.7
[M+NH4]+	193.11828	143.2
[M+K]+	214.04762	142.9
[M-H]-	174.07718	135.1
[M+Na-2H]-	196.05913	138.5
[M]+	175.08391	137.6
[M]-	175.08501	137.6

Literature stripe

literature stripe

Patent stripe

patents stripe