CID 157922

Methyl aminolevulinate

Structural Information

Molecular Formula

C₆H₁₁NO₃

SMILES

COC(=O)CCC(=O)CN

InChI

InChI=1S/C6H11NO3/c1-10-6(9)3-2-5(8)4-7/h2-4,7H2,1H3

InChIKey

YUUAYBAIHCDHHD-UHFFFAOYSA-N

Compound name

methyl 5-amino-4-oxopentanoate

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 631
References: 8680
Patents: 145.0739 Da
Monoisotopic Mass: -1.0
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]+	146.08118	130.6
[M+Na]+	168.06312	138.5
[M+NH4]+	163.10772	136.7
[M+K]+	184.03706	135.2
[M-H]-	144.06662	128.7
[M+Na-2H]-	166.04857	132.5
[M]+	145.07335	130.6
[M]-	145.07445	130.6

Literature stripe

literature stripe

Patent stripe

patents stripe