CID 9588128

Gyki 11686

Structural Information

Molecular Formula
C10H14N4O3
SMILES
CCOC(=O)C/C(=N/NC1=NNC(=O)C=C1)/C
InChI
InChI=1S/C10H14N4O3/c1-3-17-10(16)6-7(2)11-12-8-4-5-9(15)14-13-8/h4-5H,3,6H2,1-2H3,(H,12,13)(H,14,15)/b11-7+
InChIKey
IIPJJAQCEJCNFC-YRNVUSSQSA-N
Compound name
ethyl (3E)-3-[(6-oxo-1H-pyridazin-3-yl)hydrazinylidene]butanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.1066 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.11388 151.8
[M+Na]+ 261.09582 158.2
[M-H]- 237.09932 152.8
[M+NH4]+ 256.14042 166.0
[M+K]+ 277.06976 156.5
[M+H-H2O]+ 221.10386 143.3
[M+HCOO]- 283.10480 174.8
[M+CH3COO]- 297.12045 194.9
[M+Na-2H]- 259.08127 157.3
[M]+ 238.10605 152.7
[M]- 238.10715 152.7
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.