CID 75355560

5-bromo-1,3-dimethyl-1h-pyrazole-4-carboxylic acid

Structural Information

Molecular Formula
C6H7BrN2O2
SMILES
CC1=NN(C(=C1C(=O)O)Br)C
InChI
InChI=1S/C6H7BrN2O2/c1-3-4(6(10)11)5(7)9(2)8-3/h1-2H3,(H,10,11)
InChIKey
PTWGWRNOGQENEI-UHFFFAOYSA-N
Compound name
5-bromo-1,3-dimethylpyrazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

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References

0
Patents

217.96909 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.97637 142.2
[M+Na]+ 240.95831 144.1
[M+NH4]+ 236.00291 145.3
[M+K]+ 256.93225 147.4
[M-H]- 216.96181 139.9
[M+Na-2H]- 238.94376 142.7
[M]+ 217.96854 140.3
[M]- 217.96964 140.3
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.