CID 16782965

2,5-dimethyl-1-(pyridin-3-yl)-1h-pyrrole-3-carboxylic acid

Structural Information

Molecular Formula
C12H12N2O2
SMILES
CC1=CC(=C(N1C2=CN=CC=C2)C)C(=O)O
InChI
InChI=1S/C12H12N2O2/c1-8-6-11(12(15)16)9(2)14(8)10-4-3-5-13-7-10/h3-7H,1-2H3,(H,15,16)
InChIKey
PMSMVKOSDJTWFT-UHFFFAOYSA-N
Compound name
2,5-dimethyl-1-pyridin-3-ylpyrrole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

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References

0
Patents

216.08987 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.09715 147.8
[M+Na]+ 239.07909 161.0
[M+NH4]+ 234.12369 154.9
[M+K]+ 255.05303 157.3
[M-H]- 215.08259 149.6
[M+Na-2H]- 237.06454 154.6
[M]+ 216.08932 150.1
[M]- 216.09042 150.1
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.