CID 101526039

Methyl 6-formylthieno[3,2-b]pyridine-3-carboxylate

Structural Information

Molecular Formula
C10H7NO3S
SMILES
COC(=O)C1=CSC2=C1N=CC(=C2)C=O
InChI
InChI=1S/C10H7NO3S/c1-14-10(13)7-5-15-8-2-6(4-12)3-11-9(7)8/h2-5H,1H3
InChIKey
MEECOXJIHRVUCO-UHFFFAOYSA-N
Compound name
methyl 6-formylthieno[3,2-b]pyridine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

221.01466 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.02194 143.8
[M+Na]+ 244.00388 155.6
[M-H]- 220.00738 148.5
[M+NH4]+ 239.04848 164.8
[M+K]+ 259.97782 152.7
[M+H-H2O]+ 204.01192 138.2
[M+HCOO]- 266.01286 163.8
[M+CH3COO]- 280.02851 184.7
[M+Na-2H]- 241.98933 147.6
[M]+ 221.01411 151.1
[M]- 221.01521 151.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.