CID 115020197

5-(1-methylpyrrolidin-2-yl)-1h-pyrazole-3-carboxylic acid

Structural Information

Molecular Formula
C9H13N3O2
SMILES
CN1CCCC1C2=CC(=NN2)C(=O)O
InChI
InChI=1S/C9H13N3O2/c1-12-4-2-3-8(12)6-5-7(9(13)14)11-10-6/h5,8H,2-4H2,1H3,(H,10,11)(H,13,14)
InChIKey
KSIKYMAGHBUMAV-UHFFFAOYSA-N
Compound name
5-(1-methylpyrrolidin-2-yl)-1H-pyrazole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

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References

0
Patents

195.10077 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.10805 143.9
[M+Na]+ 218.08999 152.6
[M+NH4]+ 213.13459 149.8
[M+K]+ 234.06393 152.8
[M-H]- 194.09349 143.0
[M+Na-2H]- 216.07544 146.9
[M]+ 195.10022 144.3
[M]- 195.10132 144.3
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.