CID 28330485

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

Structural Information

Molecular Formula
C10H11N3O2
SMILES
CN1C(=C(C2=C1N=CC=C2)N)C(=O)OC
InChI
InChI=1S/C10H11N3O2/c1-13-8(10(14)15-2)7(11)6-4-3-5-12-9(6)13/h3-5H,11H2,1-2H3
InChIKey
YLJJCJVOGITCLV-UHFFFAOYSA-N
Compound name
methyl 3-amino-1-methylpyrrolo[2,3-b]pyridine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

205.08513 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.092406 142.4
[M+Na]+ 228.074348 153.7
[M-H]- 204.077854 145.3
[M+NH4]+ 223.118953 161.9
[M+K]+ 244.048288 151.0
[M+H-H2O]+ 188.082390 135.5
[M+HCOO]- 250.083331 166.2
[M+CH3COO]- 264.098981 188.0
[M+Na-2H]- 226.059796 147.8
[M]+ 205.08458142 145.7
[M]- 205.08567858 145.7
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.