CID 28952185

1152565-59-7

Structural Information

Molecular Formula
C9H10N4O2
SMILES
CC1=NN(C(=C1C(=O)O)N2C=CC=N2)C
InChI
InChI=1S/C9H10N4O2/c1-6-7(9(14)15)8(12(2)11-6)13-5-3-4-10-13/h3-5H,1-2H3,(H,14,15)
InChIKey
HRDMRGSQKSPROC-UHFFFAOYSA-N
Compound name
1,3-dimethyl-5-pyrazol-1-ylpyrazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

206.08037 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.08765 141.9
[M+Na]+ 229.06959 153.6
[M-H]- 205.07309 144.0
[M+NH4]+ 224.11419 158.7
[M+K]+ 245.04353 150.9
[M+H-H2O]+ 189.07763 133.7
[M+HCOO]- 251.07857 163.7
[M+CH3COO]- 265.09422 183.2
[M+Na-2H]- 227.05504 144.3
[M]+ 206.07982 145.1
[M]- 206.08092 145.1
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

No patent data available for this compound.