CID 66545104

1370587-27-1

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 146.2
[M+Na]+ 238.05869 159.0
[M+NH4]+ 233.10329 150.1
[M+K]+ 254.03263 151.8
[M-H]- 214.06219 139.4
[M+Na-2H]- 236.04414 149.1
[M]+ 215.06892 145.2
[M]- 215.07002 145.2
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.