CID 9588112

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

Structural Information

Molecular Formula
C13H17ClN4O2
SMILES
CCOC(=O)C\1CCCC/C1=N\NC2=NN=C(C=C2)Cl
InChI
InChI=1S/C13H17ClN4O2/c1-2-20-13(19)9-5-3-4-6-10(9)15-17-12-8-7-11(14)16-18-12/h7-9H,2-6H2,1H3,(H,17,18)/b15-10+
InChIKey
ABKKCZNUVCVETD-XNTDXEJSSA-N
Compound name
ethyl (2E)-2-[(6-chloropyridazin-3-yl)hydrazinylidene]cyclohexane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

296.104 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.11128 166.9
[M+Na]+ 319.09322 172.4
[M-H]- 295.09672 171.2
[M+NH4]+ 314.13782 180.0
[M+K]+ 335.06716 168.5
[M+H-H2O]+ 279.10126 157.5
[M+HCOO]- 341.10220 183.4
[M+CH3COO]- 355.11785 205.9
[M+Na-2H]- 317.07867 170.9
[M]+ 296.10345 166.3
[M]- 296.10455 166.3
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.