CID 14760314

Tert-butyl 4-(methylamino)butanoate

Structural Information

Molecular Formula

C₉H₁₉NO₂

SMILES

CC(C)(C)OC(=O)CCCNC

InChI

InChI=1S/C9H19NO2/c1-9(2,3)12-8(11)6-5-7-10-4/h10H,5-7H2,1-4H3

InChIKey

ZXCSNMBUGDAUGE-UHFFFAOYSA-N

Compound name

tert-butyl 4-(methylamino)butanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 92
Patents: 173.14159 Da
Monoisotopic Mass: 1.0
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	141.9
[M+Na]+	196.130808	147.7
[M-H]-	172.134314	142.1
[M+NH4]+	191.175413	162.3
[M+K]+	212.104748	147.8
[M+H-H2O]+	156.138850	137.1
[M+HCOO]-	218.139791	163.9
[M+CH3COO]-	232.155441	183.9
[M+Na-2H]-	194.116256	147.0
[M]+	173.14104142	144.4
[M]-	173.14213858	144.4

Literature stripe

literature stripe

Patent stripe

patents stripe