CID 6957297

1018446-60-0

Structural Information

Molecular Formula
C5H6N2O3
SMILES
COC(=O)C1=CC(=O)NN1
InChI
InChI=1S/C5H6N2O3/c1-10-5(9)3-2-4(8)7-6-3/h2H,1H3,(H2,6,7,8)
InChIKey
JTJZOTYGFHOHMK-UHFFFAOYSA-N
Compound name
methyl 5-oxo-1,2-dihydropyrazole-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

232
Patents

142.03784 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.04512 125.2
[M+Na]+ 165.02706 134.5
[M-H]- 141.03056 124.1
[M+NH4]+ 160.07166 144.5
[M+K]+ 181.00100 132.6
[M+H-H2O]+ 125.03510 119.1
[M+HCOO]- 187.03604 146.2
[M+CH3COO]- 201.05169 165.2
[M+Na-2H]- 163.01251 130.1
[M]+ 142.03729 124.1
[M]- 142.03839 124.1
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

patents stripe