CID 3042716

Hexyl (diethylamino)oxoacetate

Structural Information

Molecular Formula

C₁₂H₂₃NO₃

SMILES

CCCCCCOC(=O)C(=O)N(CC)CC

InChI

InChI=1S/C12H23NO3/c1-4-7-8-9-10-16-12(15)11(14)13(5-2)6-3/h4-10H2,1-3H3

InChIKey

MHDYJJCYEVKSPT-UHFFFAOYSA-N

Compound name

hexyl 2-(diethylamino)-2-oxoacetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 25
Patents: 229.1678 Da
Monoisotopic Mass: 3.1
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]+	230.17508	156.6
[M+Na]+	252.15702	163.9
[M+NH4]+	247.20162	162.2
[M+K]+	268.13096	159.5
[M-H]-	228.16052	155.0
[M+Na-2H]-	250.14247	157.7
[M]+	229.16725	156.7
[M]-	229.16835	156.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe