CID 9588118

Gyki 11652

Structural Information

Molecular Formula
C11H15ClN4O2
SMILES
CC(C)OC(=O)C/C(=N/NC1=NN=C(C=C1)Cl)/C
InChI
InChI=1S/C11H15ClN4O2/c1-7(2)18-11(17)6-8(3)13-15-10-5-4-9(12)14-16-10/h4-5,7H,6H2,1-3H3,(H,15,16)/b13-8+
InChIKey
QDMFZPCVDGKPBV-MDWZMJQESA-N
Compound name
propan-2-yl (3E)-3-[(6-chloropyridazin-3-yl)hydrazinylidene]butanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.08835 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.09563 159.8
[M+Na]+ 293.07757 166.6
[M-H]- 269.08107 162.0
[M+NH4]+ 288.12217 174.4
[M+K]+ 309.05151 164.1
[M+H-H2O]+ 253.08561 151.8
[M+HCOO]- 315.08655 178.0
[M+CH3COO]- 329.10220 203.6
[M+Na-2H]- 291.06302 163.6
[M]+ 270.08780 163.7
[M]- 270.08890 163.7
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.