CID 125514621

Ethyl 3-formyl-1h-pyrrolo[3,2-b]pyridine-6-carboxylate

Structural Information

Molecular Formula
C11H10N2O3
SMILES
CCOC(=O)C1=CC2=C(C(=CN2)C=O)N=C1
InChI
InChI=1S/C11H10N2O3/c1-2-16-11(15)7-3-9-10(13-4-7)8(6-14)5-12-9/h3-6,12H,2H2,1H3
InChIKey
RHUXYEOATGCHDV-UHFFFAOYSA-N
Compound name
ethyl 3-formyl-1H-pyrrolo[3,2-b]pyridine-6-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

218.06914 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.076416 145.0
[M+Na]+ 241.058358 155.5
[M-H]- 217.061864 146.5
[M+NH4]+ 236.102963 163.3
[M+K]+ 257.032298 152.1
[M+H-H2O]+ 201.066400 138.1
[M+HCOO]- 263.067341 167.0
[M+CH3COO]- 277.082991 184.2
[M+Na-2H]- 239.043806 150.7
[M]+ 218.06859142 148.8
[M]- 218.06968858 148.8
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.