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]+ 216.07675 145.7
[M+Na]+ 238.05869 158.6
[M-H]- 214.06219 147.5
[M+NH4]+ 233.10329 162.8
[M+K]+ 254.03263 154.5
[M+H-H2O]+ 198.06673 131.7
[M+HCOO]- 260.06767 164.7
[M+CH3COO]- 274.08332 199.4
[M+Na-2H]- 236.04414 150.4
[M]+ 215.06892 144.9
[M]- 215.07002 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.