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]+ 235.118956 151.8
[M+Na]+ 257.100898 163.1
[M-H]- 233.104404 152.7
[M+NH4]+ 252.145503 167.2
[M+K]+ 273.074838 159.1
[M+H-H2O]+ 217.108940 143.9
[M+HCOO]- 279.109881 171.5
[M+CH3COO]- 293.125531 187.9
[M+Na-2H]- 255.086346 152.0
[M]+ 234.11113142 154.3
[M]- 234.11222858 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.