CID 122151326

3-(piperidin-3-yl)-1h-pyrazole-4-carboxylic acid hydrochloride

Structural Information

Molecular Formula
C9H13N3O2
SMILES
C1CC(CNC1)C2=C(C=NN2)C(=O)O
InChI
InChI=1S/C9H13N3O2/c13-9(14)7-5-11-12-8(7)6-2-1-3-10-4-6/h5-6,10H,1-4H2,(H,11,12)(H,13,14)
InChIKey
ABEROPGYRSMYSF-UHFFFAOYSA-N
Compound name
5-piperidin-3-yl-1H-pyrazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

195.10077 Da
Monoisotopic Mass

-2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.10805 144.4
[M+Na]+ 218.08999 153.2
[M+NH4]+ 213.13459 150.1
[M+K]+ 234.06393 151.3
[M-H]- 194.09349 143.5
[M+Na-2H]- 216.07544 147.8
[M]+ 195.10022 144.8
[M]- 195.10132 144.8
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.