CID 45089968

146656-95-3

Structural Information

Molecular Formula
C5H6N2O3
SMILES
COC(=O)C1=CNNC1=O
InChI
InChI=1S/C5H6N2O3/c1-10-5(9)3-2-6-7-4(3)8/h2H,1H3,(H2,6,7,8)
InChIKey
GAWWMETUNCXVML-UHFFFAOYSA-N
Compound name
methyl 3-oxo-1,2-dihydropyrazole-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

142.03784 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.045116 125.2
[M+Na]+ 165.027058 134.5
[M-H]- 141.030564 124.1
[M+NH4]+ 160.071663 144.5
[M+K]+ 181.000998 132.6
[M+H-H2O]+ 125.035100 119.1
[M+HCOO]- 187.036041 146.2
[M+CH3COO]- 201.051691 165.2
[M+Na-2H]- 163.012506 130.1
[M]+ 142.03729142 124.1
[M]- 142.03838858 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