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

1
Patents

258.19434 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.20162 164.5
[M+Na]+ 281.18356 170.5
[M+NH4]+ 276.22816 169.6
[M+K]+ 297.15750 166.7
[M-H]- 257.18706 163.4
[M+Na-2H]- 279.16901 165.3
[M]+ 258.19379 164.5
[M]- 258.19489 164.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe