CID 13670209

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

Structural Information

Molecular Formula

C₁₂H₂₄N₂O₃

SMILES

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

InChI

InChI=1S/C12H24N2O3/c1-5-6-7-8-11(15)14(13(2)3)10-9-12(16)17-4/h5-10H2,1-4H3

InChIKey

YFJCLHJKVYSSBZ-UHFFFAOYSA-N

Compound name

methyl 3-[dimethylamino(hexanoyl)amino]propanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 244.1787 Da
Monoisotopic Mass: 1.7
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]+	245.185976	161.7
[M+Na]+	267.167918	165.3
[M-H]-	243.171424	164.0
[M+NH4]+	262.212523	179.8
[M+K]+	283.141858	167.5
[M+H-H2O]+	227.175960	154.8
[M+HCOO]-	289.176901	185.8
[M+CH3COO]-	303.192551	206.5
[M+Na-2H]-	265.153366	162.1
[M]+	244.17815142	167.7
[M]-	244.17924858	167.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe