CID 10750089

Tert-butyl 6-aminohexanoate hydrochloride

Structural Information

Molecular Formula

C₁₀H₂₁NO₂

SMILES

CC(C)(C)OC(=O)CCCCCN

InChI

InChI=1S/C10H21NO2/c1-10(2,3)13-9(12)7-5-4-6-8-11/h4-8,11H2,1-3H3

InChIKey

ARKHCHKVZVMJRX-UHFFFAOYSA-N

Compound name

tert-butyl 6-aminohexanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 313
Patents: 187.15723 Da
Monoisotopic Mass: 1.2
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	147.0
[M+Na]+	210.14645	152.4
[M-H]-	186.14995	146.5
[M+NH4]+	205.19105	166.6
[M+K]+	226.12039	151.9
[M+H-H2O]+	170.15449	142.0
[M+HCOO]-	232.15543	168.1
[M+CH3COO]-	246.17108	186.2
[M+Na-2H]-	208.13190	150.5
[M]+	187.15668	148.9
[M]-	187.15778	148.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe