CID 75356329

Ethyl 3-amino-3,4-dimethylpentanoate

Structural Information

Molecular Formula

C₉H₁₉NO₂

SMILES

CCOC(=O)CC(C)(C(C)C)N

InChI

InChI=1S/C9H19NO2/c1-5-12-8(11)6-9(4,10)7(2)3/h7H,5-6,10H2,1-4H3

InChIKey

XTWFQHYGHRSJSA-UHFFFAOYSA-N

Compound name

ethyl 3-amino-3,4-dimethylpentanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 173.14159 Da
Monoisotopic Mass: 1.1
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]+	174.14887	141.3
[M+Na]+	196.13081	148.9
[M+NH4]+	191.17541	147.7
[M+K]+	212.10475	145.7
[M-H]-	172.13431	139.6
[M+Na-2H]-	194.11626	143.0
[M]+	173.14104	141.6
[M]-	173.14214	141.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe