CID 61818155

2839139-17-0

Structural Information

Molecular Formula

C₉H₁₉NO₂

SMILES

CCC(C(=O)OC(C)(C)C)NC

InChI

InChI=1S/C9H19NO2/c1-6-7(10-5)8(11)12-9(2,3)4/h7,10H,6H2,1-5H3

InChIKey

WGYAGNZRMFICLQ-UHFFFAOYSA-N

Compound name

tert-butyl 2-(methylamino)butanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 173.14159 Da
Monoisotopic Mass: 1.6
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	141.8
[M+Na]+	196.130808	147.3
[M-H]-	172.134314	142.1
[M+NH4]+	191.175413	162.1
[M+K]+	212.104748	148.0
[M+H-H2O]+	156.138850	137.1
[M+HCOO]-	218.139791	162.8
[M+CH3COO]-	232.155441	184.7
[M+Na-2H]-	194.116256	145.7
[M]+	173.14104142	143.6
[M]-	173.14213858	143.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe