CID 44441311

3-(hydroxymethyl)-1h-pyrazole-5-carboxylic acid

Structural Information

Molecular Formula
C5H6N2O3
SMILES
C1=C(NN=C1C(=O)O)CO
InChI
InChI=1S/C5H6N2O3/c8-2-3-1-4(5(9)10)7-6-3/h1,8H,2H2,(H,6,7)(H,9,10)
InChIKey
OKEYZZIQFMYAIA-UHFFFAOYSA-N
Compound name
5-(hydroxymethyl)-1H-pyrazole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

20
Patents

142.03784 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.04512 127.5
[M+Na]+ 165.02706 136.6
[M+NH4]+ 160.07166 133.1
[M+K]+ 181.00100 135.7
[M-H]- 141.03056 124.7
[M+Na-2H]- 163.01251 130.4
[M]+ 142.03729 127.4
[M]- 142.03839 127.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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