CID 109370

68427-36-1

Structural Information

Molecular Formula
C9H10N4O2
SMILES
CC1=NNC(=O)C1C=C2C(=NNC2=O)C
InChI
InChI=1S/C9H10N4O2/c1-4-6(8(14)12-10-4)3-7-5(2)11-13-9(7)15/h3,6H,1-2H3,(H,12,14)(H,13,15)
InChIKey
KFJWIWSFLYGDFY-UHFFFAOYSA-N
Compound name
3-methyl-4-[(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)methylidene]-1H-pyrazol-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

206.08037 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.08765 146.9
[M+Na]+ 229.06959 157.0
[M-H]- 205.07309 146.8
[M+NH4]+ 224.11419 163.0
[M+K]+ 245.04353 152.4
[M+H-H2O]+ 189.07763 139.2
[M+HCOO]- 251.07857 164.2
[M+CH3COO]- 265.09422 179.9
[M+Na-2H]- 227.05504 146.1
[M]+ 206.07982 143.5
[M]- 206.08092 143.5
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.