CID 87586785

2087-46-9

Structural Information

Molecular Formula

C₁₀H₂₀N₂O₃

SMILES

CCOC(=O)C(CC(C)C)NC(=O)CN

InChI

InChI=1S/C10H20N2O3/c1-4-15-10(14)8(5-7(2)3)12-9(13)6-11/h7-8H,4-6,11H2,1-3H3,(H,12,13)

InChIKey

ZBHFLZZIINFDMK-UHFFFAOYSA-N

Compound name

ethyl 2-[(2-aminoacetyl)amino]-4-methylpentanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 216.1474 Da
Monoisotopic Mass: 0.6
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]+	217.15468	153.9
[M+Na]+	239.13662	157.4
[M-H]-	215.14012	153.1
[M+NH4]+	234.18122	171.3
[M+K]+	255.11056	158.0
[M+H-H2O]+	199.14466	147.6
[M+HCOO]-	261.14560	174.9
[M+CH3COO]-	275.16125	194.8
[M+Na-2H]-	237.12207	153.0
[M]+	216.14685	154.1
[M]-	216.14795	154.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe