CID 9588115

Hexanoic acid, 5-(2-(6-chloro-3-pyridazinyl)hydrazinylidene)-, ethyl ester

Structural Information

Molecular Formula
C12H17ClN4O2
SMILES
CCOC(=O)CCC/C(=N/NC1=NN=C(C=C1)Cl)/C
InChI
InChI=1S/C12H17ClN4O2/c1-3-19-12(18)6-4-5-9(2)14-16-11-8-7-10(13)15-17-11/h7-8H,3-6H2,1-2H3,(H,16,17)/b14-9+
InChIKey
FNRBKDZTXCZGOE-NTEUORMPSA-N
Compound name
ethyl (5E)-5-[(6-chloropyridazin-3-yl)hydrazinylidene]hexanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.104 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.111276 164.4
[M+Na]+ 307.093218 170.9
[M-H]- 283.096724 166.2
[M+NH4]+ 302.137823 178.4
[M+K]+ 323.067158 167.7
[M+H-H2O]+ 267.101260 155.9
[M+HCOO]- 329.102201 183.2
[M+CH3COO]- 343.117851 205.7
[M+Na-2H]- 305.078666 168.8
[M]+ 284.10345142 169.2
[M]- 284.10454858 169.2
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

No patent data available for this compound.