CID 61794111

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

Structural Information

Molecular Formula
C10H12N4O2
SMILES
CCN1C=C(C=N1)C2=NN(C=C2C(=O)O)C
InChI
InChI=1S/C10H12N4O2/c1-3-14-5-7(4-11-14)9-8(10(15)16)6-13(2)12-9/h4-6H,3H2,1-2H3,(H,15,16)
InChIKey
PCZWTTTUVMUXPV-UHFFFAOYSA-N
Compound name
3-(1-ethylpyrazol-4-yl)-1-methylpyrazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.09602 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.103296 146.4
[M+Na]+ 243.085238 157.6
[M-H]- 219.088744 148.4
[M+NH4]+ 238.129843 162.7
[M+K]+ 259.059178 154.8
[M+H-H2O]+ 203.093280 138.0
[M+HCOO]- 265.094221 167.9
[M+CH3COO]- 279.109871 186.2
[M+Na-2H]- 241.070686 148.3
[M]+ 220.09547142 150.0
[M]- 220.09656858 150.0
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.