CID 9588128

Butyric acid, 3-(2-(6-hydroxy-3-pyridazinyl)hydrazinylidene)-, ethyl ester

Structural Information

Molecular Formula

C₁₀H₁₄N₄O₃

SMILES

CCOC(=O)C/C(=N/NC1=NNC(=O)C=C1)/C

InChI

InChI=1S/C10H14N4O3/c1-3-17-10(16)6-7(2)11-12-8-4-5-9(15)14-13-8/h4-5H,3,6H2,1-2H3,(H,12,13)(H,14,15)/b11-7+

InChIKey

IIPJJAQCEJCNFC-YRNVUSSQSA-N

Compound name

ethyl (3E)-3-[(6-oxo-1H-pyridazin-3-yl)hydrazinylidene]butanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 238.1066 Da
Monoisotopic Mass: -0.3
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]+	239.113876	151.8
[M+Na]+	261.095818	158.2
[M-H]-	237.099324	152.8
[M+NH4]+	256.140423	166.0
[M+K]+	277.069758	156.5
[M+H-H2O]+	221.103860	143.3
[M+HCOO]-	283.104801	174.8
[M+CH3COO]-	297.120451	194.9
[M+Na-2H]-	259.081266	157.3
[M]+	238.10605142	152.7
[M]-	238.10714858	152.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.