CID 3163612

1048925-07-0

Structural Information

Molecular Formula
C11H14N4O2
SMILES
CCN1C(=C(C(=N1)C)C2=NNC(=C2)C(=O)O)C
InChI
InChI=1S/C11H14N4O2/c1-4-15-7(3)10(6(2)14-15)8-5-9(11(16)17)13-12-8/h5H,4H2,1-3H3,(H,12,13)(H,16,17)
InChIKey
MYUXPJBRMDDBIF-UHFFFAOYSA-N
Compound name
3-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1H-pyrazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.11168 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.11896 151.8
[M+Na]+ 257.10090 163.1
[M-H]- 233.10440 152.7
[M+NH4]+ 252.14550 167.2
[M+K]+ 273.07484 159.1
[M+H-H2O]+ 217.10894 143.9
[M+HCOO]- 279.10988 171.5
[M+CH3COO]- 293.12553 187.9
[M+Na-2H]- 255.08635 152.0
[M]+ 234.11113 154.3
[M]- 234.11223 154.3
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.