CID 66545106

3-cyano-1-methyl-1h-pyrrolo[2,3-b]pyridine-5-carboxylic acid

Structural Information

Molecular Formula
C10H7N3O2
SMILES
CN1C=C(C2=C1N=CC(=C2)C(=O)O)C#N
InChI
InChI=1S/C10H7N3O2/c1-13-5-7(3-11)8-2-6(10(14)15)4-12-9(8)13/h2,4-5H,1H3,(H,14,15)
InChIKey
CEXOQDQNAQGJNX-UHFFFAOYSA-N
Compound name
3-cyano-1-methylpyrrolo[2,3-b]pyridine-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

201.05383 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.061106 142.9
[M+Na]+ 224.043048 155.7
[M-H]- 200.046554 143.6
[M+NH4]+ 219.087653 159.8
[M+K]+ 240.016988 151.1
[M+H-H2O]+ 184.051090 129.3
[M+HCOO]- 246.052031 160.8
[M+CH3COO]- 260.067681 195.1
[M+Na-2H]- 222.028496 147.6
[M]+ 201.05328142 140.2
[M]- 201.05437858 140.2
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.

Patent stripe

No patent data available for this compound.