CID 66545104

Methyl 3-cyano-1-methyl-1h-pyrrolo[2,3-b]pyridine-5-carboxylate

Structural Information

Molecular Formula
C11H9N3O2
SMILES
CN1C=C(C2=C1N=CC(=C2)C(=O)OC)C#N
InChI
InChI=1S/C11H9N3O2/c1-14-6-8(4-12)9-3-7(11(15)16-2)5-13-10(9)14/h3,5-6H,1-2H3
InChIKey
SRKVUBMQUDUCNR-UHFFFAOYSA-N
Compound name
methyl 3-cyano-1-methylpyrrolo[2,3-b]pyridine-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

215.06947 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.076746 145.7
[M+Na]+ 238.058688 158.6
[M-H]- 214.062194 147.5
[M+NH4]+ 233.103293 162.8
[M+K]+ 254.032628 154.5
[M+H-H2O]+ 198.066730 131.7
[M+HCOO]- 260.067671 164.7
[M+CH3COO]- 274.083321 199.4
[M+Na-2H]- 236.044136 150.4
[M]+ 215.06892142 144.9
[M]- 215.07001858 144.9
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.