CID 9588123

Heptanoic acid, 6-((6-chloro-3-pyridazinyl)hydrazono)-

Structural Information

Molecular Formula
C11H15ClN4O2
SMILES
C/C(=N\NC1=NN=C(C=C1)Cl)/CCCCC(=O)O
InChI
InChI=1S/C11H15ClN4O2/c1-8(4-2-3-5-11(17)18)13-15-10-7-6-9(12)14-16-10/h6-7H,2-5H2,1H3,(H,15,16)(H,17,18)/b13-8+
InChIKey
XWSYWQPRILYRRJ-MDWZMJQESA-N
Compound name
(6E)-6-[(6-chloropyridazin-3-yl)hydrazinylidene]heptanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.08835 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.095626 159.7
[M+Na]+ 293.077568 166.2
[M-H]- 269.081074 160.3
[M+NH4]+ 288.122173 173.5
[M+K]+ 309.051508 162.4
[M+H-H2O]+ 253.085610 151.8
[M+HCOO]- 315.086551 177.4
[M+CH3COO]- 329.102201 200.9
[M+Na-2H]- 291.063016 164.2
[M]+ 270.08780142 162.3
[M]- 270.08889858 162.3
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.