CID 9588122

Brn 0916076

Structural Information

Molecular Formula
C9H11ClN4O2
SMILES
C/C(=N\NC1=NN=C(C=C1)Cl)/CCC(=O)O
InChI
InChI=1S/C9H11ClN4O2/c1-6(2-5-9(15)16)11-13-8-4-3-7(10)12-14-8/h3-4H,2,5H2,1H3,(H,13,14)(H,15,16)/b11-6+
InChIKey
DDWRIJPSKSVNSJ-IZZDOVSWSA-N
Compound name
(4E)-4-[(6-chloropyridazin-3-yl)hydrazinylidene]pentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.05705 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.06433 150.7
[M+Na]+ 265.04627 158.1
[M-H]- 241.04977 151.7
[M+NH4]+ 260.09087 165.7
[M+K]+ 281.02021 154.7
[M+H-H2O]+ 225.05431 143.2
[M+HCOO]- 287.05525 169.1
[M+CH3COO]- 301.07090 194.9
[M+Na-2H]- 263.03172 156.2
[M]+ 242.05650 152.6
[M]- 242.05760 152.6
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.