CID 83698964

3-(oxan-4-yl)-1h-pyrazole-5-carboxylic acid

Structural Information

Molecular Formula
C9H12N2O3
SMILES
C1COCCC1C2=CC(=NN2)C(=O)O
InChI
InChI=1S/C9H12N2O3/c12-9(13)8-5-7(10-11-8)6-1-3-14-4-2-6/h5-6H,1-4H2,(H,10,11)(H,12,13)
InChIKey
MZWCDSJHQAAIPV-UHFFFAOYSA-N
Compound name
5-(oxan-4-yl)-1H-pyrazole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

196.0848 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.09208 142.7
[M+Na]+ 219.07402 152.3
[M+NH4]+ 214.11862 149.0
[M+K]+ 235.04796 150.6
[M-H]- 195.07752 144.0
[M+Na-2H]- 217.05947 146.3
[M]+ 196.08425 144.0
[M]- 196.08535 144.0
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.