CID 118094

Methyl 3-(diethylamino)butanoate

Structural Information

Molecular Formula

C₉H₁₉NO₂

SMILES

CCN(CC)C(C)CC(=O)OC

InChI

InChI=1S/C9H19NO2/c1-5-10(6-2)8(3)7-9(11)12-4/h8H,5-7H2,1-4H3

InChIKey

WUQJBIQCZYGKAJ-UHFFFAOYSA-N

Compound name

methyl 3-(diethylamino)butanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 173.14159 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]+	174.148866	142.2
[M+Na]+	196.130808	147.4
[M-H]-	172.134314	143.6
[M+NH4]+	191.175413	163.0
[M+K]+	212.104748	149.0
[M+H-H2O]+	156.138850	136.6
[M+HCOO]-	218.139791	165.3
[M+CH3COO]-	232.155441	188.7
[M+Na-2H]-	194.116256	144.6
[M]+	173.14104142	145.9
[M]-	173.14213858	145.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe