CID 6485419

5-(1,5-dimethyl-1h-pyrazol-4-yl)-1h-pyrazole-3-carboxylic acid

Structural Information

Molecular Formula
C9H10N4O2
SMILES
CC1=C(C=NN1C)C2=NNC(=C2)C(=O)O
InChI
InChI=1S/C9H10N4O2/c1-5-6(4-10-13(5)2)7-3-8(9(14)15)12-11-7/h3-4H,1-2H3,(H,11,12)(H,14,15)
InChIKey
ISKMCDXREBOIHJ-UHFFFAOYSA-N
Compound name
3-(1,5-dimethylpyrazol-4-yl)-1H-pyrazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

206.08037 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.08765 142.8
[M+Na]+ 229.06959 154.0
[M-H]- 205.07309 143.6
[M+NH4]+ 224.11419 158.9
[M+K]+ 245.04353 150.6
[M+H-H2O]+ 189.07763 134.9
[M+HCOO]- 251.07857 163.1
[M+CH3COO]- 265.09422 180.8
[M+Na-2H]- 227.05504 144.7
[M]+ 206.07982 144.2
[M]- 206.08092 144.2
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