CID 9588118

Butyric acid, 3-(2-(6-chloro-3-pyridazinyl)hydrazinylidene)-, isopropyl ester

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]+ 271.095626 159.8
[M+Na]+ 293.077568 166.6
[M-H]- 269.081074 162.0
[M+NH4]+ 288.122173 174.4
[M+K]+ 309.051508 164.1
[M+H-H2O]+ 253.085610 151.8
[M+HCOO]- 315.086551 178.0
[M+CH3COO]- 329.102201 203.6
[M+Na-2H]- 291.063016 163.6
[M]+ 270.08780142 163.7
[M]- 270.08889858 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.