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 166.4
[M+Na]+ 281.18356 169.6
[M-H]- 257.18706 168.5
[M+NH4]+ 276.22816 183.9
[M+K]+ 297.15750 171.5
[M+H-H2O]+ 241.19160 159.3
[M+HCOO]- 303.19254 190.1
[M+CH3COO]- 317.20819 209.5
[M+Na-2H]- 279.16901 166.2
[M]+ 258.19379 172.7
[M]- 258.19489 172.7
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