CID 22047416

Methyl thieno[3,2-b]pyridine-2-carboxylate

Structural Information

Molecular Formula
C9H7NO2S
SMILES
COC(=O)C1=CC2=C(S1)C=CC=N2
InChI
InChI=1S/C9H7NO2S/c1-12-9(11)8-5-6-7(13-8)3-2-4-10-6/h2-5H,1H3
InChIKey
QIDGNOLDYYRKHI-UHFFFAOYSA-N
Compound name
methyl thieno[3,2-b]pyridine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

100
Patents

193.01974 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.027016 137.0
[M+Na]+ 216.008958 148.4
[M-H]- 192.012464 141.6
[M+NH4]+ 211.053563 159.2
[M+K]+ 231.982898 145.8
[M+H-H2O]+ 176.017000 131.5
[M+HCOO]- 238.017941 157.1
[M+CH3COO]- 252.033591 179.4
[M+Na-2H]- 213.994406 141.9
[M]+ 193.01919142 142.9
[M]- 193.02028858 142.9
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

patents stripe