CID 62394873

2-(1-ethyl-1h-pyrazol-4-yl)-3-methylbutanoic acid

Structural Information

Molecular Formula
C10H16N2O2
SMILES
CCN1C=C(C=N1)C(C(C)C)C(=O)O
InChI
InChI=1S/C10H16N2O2/c1-4-12-6-8(5-11-12)9(7(2)3)10(13)14/h5-7,9H,4H2,1-3H3,(H,13,14)
InChIKey
XALJTDSVJJELIX-UHFFFAOYSA-N
Compound name
2-(1-ethylpyrazol-4-yl)-3-methylbutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

196.12119 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.12847 145.3
[M+Na]+ 219.11041 154.4
[M+NH4]+ 214.15501 151.2
[M+K]+ 235.08435 152.8
[M-H]- 195.11391 143.6
[M+Na-2H]- 217.09586 148.0
[M]+ 196.12064 145.7
[M]- 196.12174 145.7
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.