CID 2763684

383146-86-9

Structural Information

Molecular Formula
C8H10N2O3
SMILES
CC1=NN(C(=O)C1C(=O)C)C(=O)C
InChI
InChI=1S/C8H10N2O3/c1-4-7(5(2)11)8(13)10(9-4)6(3)12/h7H,1-3H3
InChIKey
MYUDXBXLUNRVRM-UHFFFAOYSA-N
Compound name
2,4-diacetyl-5-methyl-4H-pyrazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

182.06914 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.07642 135.4
[M+Na]+ 205.05836 145.3
[M-H]- 181.06186 137.3
[M+NH4]+ 200.10296 155.0
[M+K]+ 221.03230 144.6
[M+H-H2O]+ 165.06640 129.4
[M+HCOO]- 227.06734 156.3
[M+CH3COO]- 241.08299 182.2
[M+Na-2H]- 203.04381 136.6
[M]+ 182.06859 137.4
[M]- 182.06969 137.4
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.