CID 10607312

Tert-butyl 5-aminopentanoate hydrochloride

Structural Information

Molecular Formula

C₉H₁₉NO₂

SMILES

CC(C)(C)OC(=O)CCCCN

InChI

InChI=1S/C9H19NO2/c1-9(2,3)12-8(11)6-4-5-7-10/h4-7,10H2,1-3H3

InChIKey

ZJUJPZBBBNJPTI-UHFFFAOYSA-N

Compound name

tert-butyl 5-aminopentanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 202
Patents: 173.14159 Da
Monoisotopic Mass: 0.8
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]+	174.148866	142.4
[M+Na]+	196.130808	148.2
[M-H]-	172.134314	142.0
[M+NH4]+	191.175413	162.5
[M+K]+	212.104748	148.0
[M+H-H2O]+	156.138850	137.6
[M+HCOO]-	218.139791	163.8
[M+CH3COO]-	232.155441	183.2
[M+Na-2H]-	194.116256	146.4
[M]+	173.14104142	143.9
[M]-	173.14213858	143.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe