CID 43535122

1-(1-methyl-1h-pyrazol-4-yl)-2,5-dihydro-1h-pyrrole-2,5-dione

Structural Information

Molecular Formula
C8H7N3O2
SMILES
CN1C=C(C=N1)N2C(=O)C=CC2=O
InChI
InChI=1S/C8H7N3O2/c1-10-5-6(4-9-10)11-7(12)2-3-8(11)13/h2-5H,1H3
InChIKey
DFBVVTWZBAPQJN-UHFFFAOYSA-N
Compound name
1-(1-methylpyrazol-4-yl)pyrrole-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

177.05383 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.06111 136.7
[M+Na]+ 200.04305 148.4
[M+NH4]+ 195.08765 143.4
[M+K]+ 216.01699 147.3
[M-H]- 176.04655 137.1
[M+Na-2H]- 198.02850 142.1
[M]+ 177.05328 138.1
[M]- 177.05438 138.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.