CID 9588123

Brn 0918769

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]+ 271.09563 159.7
[M+Na]+ 293.07757 166.2
[M-H]- 269.08107 160.3
[M+NH4]+ 288.12217 173.5
[M+K]+ 309.05151 162.4
[M+H-H2O]+ 253.08561 151.8
[M+HCOO]- 315.08655 177.4
[M+CH3COO]- 329.10220 200.9
[M+Na-2H]- 291.06302 164.2
[M]+ 270.08780 162.3
[M]- 270.08890 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.