CID 45084132

166656-45-7

Structural Information

Molecular Formula
C5H7N3O2
SMILES
CNC(=O)C1=CC(=O)NN1
InChI
InChI=1S/C5H7N3O2/c1-6-5(10)3-2-4(9)8-7-3/h2H,1H3,(H,6,10)(H2,7,8,9)
InChIKey
WMMOGTYSAOHGME-UHFFFAOYSA-N
Compound name
N-methyl-5-oxo-1,2-dihydropyrazole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

141.05383 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.06111 126.5
[M+Na]+ 164.04305 134.9
[M-H]- 140.04655 125.4
[M+NH4]+ 159.08765 145.5
[M+K]+ 180.01699 132.5
[M+H-H2O]+ 124.05109 120.0
[M+HCOO]- 186.05203 148.3
[M+CH3COO]- 200.06768 168.1
[M+Na-2H]- 162.02850 131.7
[M]+ 141.05328 123.2
[M]- 141.05438 123.2
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