CID 9588131

Gyki 11628

Structural Information

Molecular Formula

C₁₁H₁₅ClN₄O₂

SMILES

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

InChI

InChI=1S/C11H15ClN4O2/c1-3-18-11(17)7-4-8(2)13-15-10-6-5-9(12)14-16-10/h5-6H,3-4,7H2,1-2H3,(H,15,16)/b13-8+

InChIKey

HDMQCGFDSZDGRJ-MDWZMJQESA-N

Compound name

ethyl (4E)-4-[(6-chloropyridazin-3-yl)hydrazinylidene]pentanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 270.08835 Da
Monoisotopic Mass: 1.4
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]+	271.095626	159.8
[M+Na]+	293.077568	166.8
[M-H]-	269.081074	161.8
[M+NH4]+	288.122173	174.4
[M+K]+	309.051508	163.8
[M+H-H2O]+	253.085610	151.6
[M+HCOO]-	315.086551	179.0
[M+CH3COO]-	329.102201	202.7
[M+Na-2H]-	291.063016	164.8
[M]+	270.08780142	164.3
[M]-	270.08889858	164.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.