CID 9588114

Gyki 11616

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.05705 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.06433 150.7
[M+Na]+ 265.04627 158.6
[M-H]- 241.04977 153.1
[M+NH4]+ 260.09087 166.5
[M+K]+ 281.02021 156.1
[M+H-H2O]+ 225.05431 143.0
[M+HCOO]- 287.05525 170.6
[M+CH3COO]- 301.07090 196.7
[M+Na-2H]- 263.03172 156.7
[M]+ 242.05650 154.4
[M]- 242.05760 154.4
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.