CID 115563178

Tert-butyl 3-aminopentanoate

Structural Information

Molecular Formula

C₉H₁₉NO₂

SMILES

CCC(CC(=O)OC(C)(C)C)N

InChI

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

InChIKey

KLZKLOMEOUQHEO-UHFFFAOYSA-N

Compound name

tert-butyl 3-aminopentanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
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	142.3
[M+Na]+	196.13081	147.9
[M-H]-	172.13431	142.1
[M+NH4]+	191.17541	162.4
[M+K]+	212.10475	148.2
[M+H-H2O]+	156.13885	137.7
[M+HCOO]-	218.13979	162.7
[M+CH3COO]-	232.15544	184.1
[M+Na-2H]-	194.11626	145.1
[M]+	173.14104	143.1
[M]-	173.14214	143.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.