CID 9588116

Gyki 11640

Structural Information

Molecular Formula
C11H15ClN4O2
SMILES
CC/C(=N\NC1=NN=C(C=C1)Cl)/CC(=O)OCC
InChI
InChI=1S/C11H15ClN4O2/c1-3-8(7-11(17)18-4-2)13-15-10-6-5-9(12)14-16-10/h5-6H,3-4,7H2,1-2H3,(H,15,16)/b13-8+
InChIKey
PRKNVPMCWJBQPD-MDWZMJQESA-N
Compound name
ethyl (3E)-3-[(6-chloropyridazin-3-yl)hydrazinylidene]pentanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.08835 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.09563 159.8
[M+Na]+ 293.07757 166.8
[M-H]- 269.08107 161.8
[M+NH4]+ 288.12217 174.4
[M+K]+ 309.05151 163.8
[M+H-H2O]+ 253.08561 151.6
[M+HCOO]- 315.08655 179.0
[M+CH3COO]- 329.10220 202.7
[M+Na-2H]- 291.06302 164.8
[M]+ 270.08780 164.3
[M]- 270.08890 164.3
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.