CID 25247553

3-(methoxycarbonyl)-1-methyl-1h-pyrazole-4-carboxylic acid

Structural Information

Molecular Formula
C7H8N2O4
SMILES
CN1C=C(C(=N1)C(=O)OC)C(=O)O
InChI
InChI=1S/C7H8N2O4/c1-9-3-4(6(10)11)5(8-9)7(12)13-2/h3H,1-2H3,(H,10,11)
InChIKey
VKKACJSFTZECGB-UHFFFAOYSA-N
Compound name
3-methoxycarbonyl-1-methylpyrazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

184.0484 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.05568 137.5
[M+Na]+ 207.03762 147.0
[M+NH4]+ 202.08222 142.6
[M+K]+ 223.01156 146.5
[M-H]- 183.04112 134.9
[M+Na-2H]- 205.02307 140.0
[M]+ 184.04785 137.6
[M]- 184.04895 137.6
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.