CID 9588113

Gyki 11563

Structural Information

Molecular Formula

C₁₀H₁₄N₄O₂

SMILES

CCOC(=O)C/C(=N/NC1=NN=CC=C1)/C

InChI

InChI=1S/C10H14N4O2/c1-3-16-10(15)7-8(2)12-14-9-5-4-6-11-13-9/h4-6H,3,7H2,1-2H3,(H,13,14)/b12-8+

InChIKey

IXJKOCSOIHJXDA-XYOKQWHBSA-N

Compound name

ethyl (3E)-3-(pyridazin-3-ylhydrazinylidene)butanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 222.11168 Da
Monoisotopic Mass: 0.7
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]+	223.118956	149.5
[M+Na]+	245.100898	155.3
[M-H]-	221.104404	151.5
[M+NH4]+	240.145503	164.9
[M+K]+	261.074838	154.4
[M+H-H2O]+	205.108940	140.6
[M+HCOO]-	267.109881	173.6
[M+CH3COO]-	281.125531	194.8
[M+Na-2H]-	243.086346	156.2
[M]+	222.11113142	151.2
[M]-	222.11222858	151.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.