CID 43145814

5-ethyl-1-(2-methylpropyl)-1h-pyrazole-4-carboxylic acid

Structural Information

Molecular Formula
C10H16N2O2
SMILES
CCC1=C(C=NN1CC(C)C)C(=O)O
InChI
InChI=1S/C10H16N2O2/c1-4-9-8(10(13)14)5-11-12(9)6-7(2)3/h5,7H,4,6H2,1-3H3,(H,13,14)
InChIKey
ZAZRFBIVUYZLCB-UHFFFAOYSA-N
Compound name
5-ethyl-1-(2-methylpropyl)pyrazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

196.12119 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.12847 145.3
[M+Na]+ 219.11041 155.2
[M+NH4]+ 214.15501 151.3
[M+K]+ 235.08435 152.9
[M-H]- 195.11391 143.9
[M+Na-2H]- 217.09586 148.1
[M]+ 196.12064 145.9
[M]- 196.12174 145.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.