CID 21576016

Tert-butyl 4-amino-4-methylpentanoate

Structural Information

Molecular Formula

C₁₀H₂₁NO₂

SMILES

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

InChI

InChI=1S/C10H21NO2/c1-9(2,3)13-8(12)6-7-10(4,5)11/h6-7,11H2,1-5H3

InChIKey

MSYWFLPIRKVKGH-UHFFFAOYSA-N

Compound name

tert-butyl 4-amino-4-methylpentanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 71
Patents: 187.15723 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]+	188.16451	145.7
[M+Na]+	210.14645	151.6
[M-H]-	186.14995	145.5
[M+NH4]+	205.19105	165.4
[M+K]+	226.12039	151.6
[M+H-H2O]+	170.15449	141.5
[M+HCOO]-	232.15543	165.3
[M+CH3COO]-	246.17108	186.7
[M+Na-2H]-	208.13190	150.2
[M]+	187.15668	147.1
[M]-	187.15778	147.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe