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]+ 221.10330 147.7
[M+Na]+ 243.08524 159.6
[M+NH4]+ 238.12984 153.1
[M+K]+ 259.05918 159.2
[M-H]- 219.08874 147.1
[M+Na-2H]- 241.07069 153.1
[M]+ 220.09547 148.9
[M]- 220.09657 148.9
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.