CID 9588124

Brn 0924709

Structural Information

Molecular Formula
C13H19ClN4O2
SMILES
C/C(=N\NC1=NN=C(C=C1)Cl)/CCC(=O)OC(C)(C)C
InChI
InChI=1S/C13H19ClN4O2/c1-9(5-8-12(19)20-13(2,3)4)15-17-11-7-6-10(14)16-18-11/h6-7H,5,8H2,1-4H3,(H,17,18)/b15-9+
InChIKey
HGEHKLOUMMOGOO-OQLLNIDSSA-N
Compound name
tert-butyl (4E)-4-[(6-chloropyridazin-3-yl)hydrazinylidene]pentanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

298.11966 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.12694 169.7
[M+Na]+ 321.10888 176.3
[M-H]- 297.11238 171.9
[M+NH4]+ 316.15348 183.4
[M+K]+ 337.08282 173.4
[M+H-H2O]+ 281.11692 161.9
[M+HCOO]- 343.11786 186.7
[M+CH3COO]- 357.13351 208.3
[M+Na-2H]- 319.09433 174.4
[M]+ 298.11911 174.3
[M]- 298.12021 174.3
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.