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

0
Patents

206.08037 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.087646 142.8
[M+Na]+ 229.069588 154.0
[M-H]- 205.073094 143.6
[M+NH4]+ 224.114193 158.9
[M+K]+ 245.043528 150.6
[M+H-H2O]+ 189.077630 134.9
[M+HCOO]- 251.078571 163.1
[M+CH3COO]- 265.094221 180.8
[M+Na-2H]- 227.055036 144.7
[M]+ 206.07982142 144.2
[M]- 206.08091858 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