CID 71757611

4-(carboxymethoxy)-1-phenyl-1h-pyrazole-3-carboxylic acid

Structural Information

Molecular Formula
C12H10N2O5
SMILES
C1=CC=C(C=C1)N2C=C(C(=N2)C(=O)O)OCC(=O)O
InChI
InChI=1S/C12H10N2O5/c15-10(16)7-19-9-6-14(13-11(9)12(17)18)8-4-2-1-3-5-8/h1-6H,7H2,(H,15,16)(H,17,18)
InChIKey
WYBCLGBJJXQTPA-UHFFFAOYSA-N
Compound name
4-(carboxymethoxy)-1-phenylpyrazole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.05896 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.06624 156.5
[M+Na]+ 285.04818 166.8
[M+NH4]+ 280.09278 161.0
[M+K]+ 301.02212 165.7
[M-H]- 261.05168 155.6
[M+Na-2H]- 283.03363 161.0
[M]+ 262.05841 157.2
[M]- 262.05951 157.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

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No patent data available for this compound.