CID 43726158

1157699-72-3

Structural Information

Molecular Formula

C₇H₁₅NO₂

SMILES

CCNC(C)(C)C(=O)OC

InChI

InChI=1S/C7H15NO2/c1-5-8-7(2,3)6(9)10-4/h8H,5H2,1-4H3

InChIKey

ACISHZXZCPQMOS-UHFFFAOYSA-N

Compound name

methyl 2-(ethylamino)-2-methylpropanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 145.11028 Da
Monoisotopic Mass: 0.7
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]+	146.117556	132.3
[M+Na]+	168.099498	138.9
[M-H]-	144.103004	132.8
[M+NH4]+	163.144103	153.8
[M+K]+	184.073438	139.5
[M+H-H2O]+	128.107540	127.9
[M+HCOO]-	190.108481	155.0
[M+CH3COO]-	204.124131	178.5
[M+Na-2H]-	166.084946	138.5
[M]+	145.10973142	134.2
[M]-	145.11082858	134.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe