CID 91587452

1379371-52-4

Structural Information

Molecular Formula

C₁₀H₂₁NO₂

SMILES

CC(C)(C)OC(=O)CCCCNC

InChI

InChI=1S/C10H21NO2/c1-10(2,3)13-9(12)7-5-6-8-11-4/h11H,5-8H2,1-4H3

InChIKey

HCYVRVRXZSYAPN-UHFFFAOYSA-N

Compound name

tert-butyl 5-(methylamino)pentanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 187.15723 Da
Monoisotopic Mass: 1.3
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	146.5
[M+Na]+	210.146448	151.9
[M-H]-	186.149954	146.5
[M+NH4]+	205.191053	166.4
[M+K]+	226.120388	151.8
[M+H-H2O]+	170.154490	141.6
[M+HCOO]-	232.155431	168.3
[M+CH3COO]-	246.171081	186.9
[M+Na-2H]-	208.131896	151.2
[M]+	187.15668142	149.5
[M]-	187.15777858	149.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe