CID 24838663

Hexanoic acid, 1-(3-ethoxy-3-oxopropyl)-2,2-dimethylhydrazide

Structural Information

Molecular Formula

C₁₃H₂₆N₂O₃

SMILES

CCCCCC(=O)N(CCC(=O)OCC)N(C)C

InChI

InChI=1S/C13H26N2O3/c1-5-7-8-9-12(16)15(14(3)4)11-10-13(17)18-6-2/h5-11H2,1-4H3

InChIKey

AGVKSBYAWLCYIW-UHFFFAOYSA-N

Compound name

ethyl 3-[dimethylamino(hexanoyl)amino]propanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 258.19434 Da
Monoisotopic Mass: 2.1
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]+	259.201616	166.4
[M+Na]+	281.183558	169.6
[M-H]-	257.187064	168.5
[M+NH4]+	276.228163	183.9
[M+K]+	297.157498	171.5
[M+H-H2O]+	241.191600	159.3
[M+HCOO]-	303.192541	190.1
[M+CH3COO]-	317.208191	209.5
[M+Na-2H]-	279.169006	166.2
[M]+	258.19379142	172.7
[M]-	258.19488858	172.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe