CID 12451445

Tert-butyl 2-aminohexanoate

Structural Information

Molecular Formula

C₁₀H₂₁NO₂

SMILES

CCCCC(C(=O)OC(C)(C)C)N

InChI

InChI=1S/C10H21NO2/c1-5-6-7-8(11)9(12)13-10(2,3)4/h8H,5-7,11H2,1-4H3

InChIKey

CZROWHOGJRLBIE-UHFFFAOYSA-N

Compound name

tert-butyl 2-aminohexanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 106
Patents: 187.15723 Da
Monoisotopic Mass: 2.0
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]+	188.164506	147.0
[M+Na]+	210.146448	152.2
[M-H]-	186.149954	146.5
[M+NH4]+	205.191053	166.5
[M+K]+	226.120388	152.2
[M+H-H2O]+	170.154490	142.2
[M+HCOO]-	232.155431	167.1
[M+CH3COO]-	246.171081	187.1
[M+Na-2H]-	208.131896	149.3
[M]+	187.15668142	148.2
[M]-	187.15777858	148.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe