CID 45407

Df 495

Structural Information

Molecular Formula

C₁₀H₂₁NO₂

SMILES

CCN(CC)CCCC(=O)OCC

InChI

InChI=1S/C10H21NO2/c1-4-11(5-2)9-7-8-10(12)13-6-3/h4-9H2,1-3H3

InChIKey

DJGCAHHIFOEPPU-UHFFFAOYSA-N

Compound name

ethyl 4-(diethylamino)butanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 37
Patents: 187.15723 Da
Monoisotopic Mass: 1.5
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]+	188.16451	146.6
[M+Na]+	210.14645	151.6
[M-H]-	186.14995	147.8
[M+NH4]+	205.19105	166.9
[M+K]+	226.12039	152.5
[M+H-H2O]+	170.15449	140.8
[M+HCOO]-	232.15543	170.4
[M+CH3COO]-	246.17108	190.8
[M+Na-2H]-	208.13190	149.8
[M]+	187.15668	151.4
[M]-	187.15778	151.4

Literature stripe

literature stripe

Patent stripe

patents stripe