CID 2759247

74817-54-2

Structural Information

Molecular Formula

C₆H₁₂N₂O₃

SMILES

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

InChI

InChI=1S/C6H12N2O3/c1-11-6(10)4(7)2-3-5(8)9/h4H,2-3,7H2,1H3,(H2,8,9)/t4-/m1/s1

InChIKey

GBDRMPRTNVKBAD-SCSAIBSYSA-N

Compound name

methyl (2R)-2,5-diamino-5-oxopentanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 14
References: 648
Patents: 160.0848 Da
Monoisotopic Mass: -0.5
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]+	161.09208	134.9
[M+Na]+	183.07402	140.8
[M+NH4]+	178.11862	140.2
[M+K]+	199.04796	139.0
[M-H]-	159.07752	132.8
[M+Na-2H]-	181.05947	135.5
[M]+	160.08425	134.4
[M]-	160.08535	134.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe