CID 106758555

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

Structural Information

Molecular Formula
C9H10N4O2
SMILES
CN1C=C(C(=N1)C2=CC=NN2C)C(=O)O
InChI
InChI=1S/C9H10N4O2/c1-12-5-6(9(14)15)8(11-12)7-3-4-10-13(7)2/h3-5H,1-2H3,(H,14,15)
InChIKey
LNNUNHURCXUPDP-UHFFFAOYSA-N
Compound name
1-methyl-3-(2-methylpyrazol-3-yl)pyrazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

206.08037 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.087646 141.9
[M+Na]+ 229.069588 153.6
[M-H]- 205.073094 144.0
[M+NH4]+ 224.114193 158.7
[M+K]+ 245.043528 150.9
[M+H-H2O]+ 189.077630 133.7
[M+HCOO]- 251.078571 163.7
[M+CH3COO]- 265.094221 183.2
[M+Na-2H]- 227.055036 144.3
[M]+ 206.07982142 145.1
[M]- 206.08091858 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.