CID 20983227

5-(2,5-dimethyl-1h-pyrrol-1-yl)-1-methyl-1h-pyrazole-4-carboxylic acid

Structural Information

Molecular Formula
C11H13N3O2
SMILES
CC1=CC=C(N1C2=C(C=NN2C)C(=O)O)C
InChI
InChI=1S/C11H13N3O2/c1-7-4-5-8(2)14(7)10-9(11(15)16)6-12-13(10)3/h4-6H,1-3H3,(H,15,16)
InChIKey
KRNXOJQIIODTAI-UHFFFAOYSA-N
Compound name
5-(2,5-dimethylpyrrol-1-yl)-1-methylpyrazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
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References

0
Patents

219.10077 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.10805 148.2
[M+Na]+ 242.08999 160.5
[M+NH4]+ 237.13459 154.3
[M+K]+ 258.06393 159.8
[M-H]- 218.09349 148.5
[M+Na-2H]- 240.07544 153.5
[M]+ 219.10022 149.8
[M]- 219.10132 149.8
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.