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 134.1
[M+Na]+ 200.04305 145.2
[M-H]- 176.04655 138.1
[M+NH4]+ 195.08765 153.9
[M+K]+ 216.01699 143.3
[M+H-H2O]+ 160.05109 126.5
[M+HCOO]- 222.05203 157.4
[M+CH3COO]- 236.06768 178.7
[M+Na-2H]- 198.02850 136.8
[M]+ 177.05328 135.4
[M]- 177.05438 135.4
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.