CID 9588113

Gyki 11563

Structural Information

Molecular Formula
C10H14N4O2
SMILES
CCOC(=O)C/C(=N/NC1=NN=CC=C1)/C
InChI
InChI=1S/C10H14N4O2/c1-3-16-10(15)7-8(2)12-14-9-5-4-6-11-13-9/h4-6H,3,7H2,1-2H3,(H,13,14)/b12-8+
InChIKey
IXJKOCSOIHJXDA-XYOKQWHBSA-N
Compound name
ethyl (3E)-3-(pyridazin-3-ylhydrazinylidene)butanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

222.11168 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.11896 149.5
[M+Na]+ 245.10090 155.3
[M-H]- 221.10440 151.5
[M+NH4]+ 240.14550 164.9
[M+K]+ 261.07484 154.4
[M+H-H2O]+ 205.10894 140.6
[M+HCOO]- 267.10988 173.6
[M+CH3COO]- 281.12553 194.8
[M+Na-2H]- 243.08635 156.2
[M]+ 222.11113 151.2
[M]- 222.11223 151.2
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.