CID 2727696

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

Structural Information

Molecular Formula
C9H7NO3S
SMILES
COC(=O)C1=C(C2=C(S1)N=CC=C2)O
InChI
InChI=1S/C9H7NO3S/c1-13-9(12)7-6(11)5-3-2-4-10-8(5)14-7/h2-4,11H,1H3
InChIKey
VNGMVGWUWHNBBW-UHFFFAOYSA-N
Compound name
methyl 3-hydroxythieno[2,3-b]pyridine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

16
Patents

209.01466 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.02194 140.2
[M+Na]+ 232.00388 151.7
[M-H]- 208.00738 143.6
[M+NH4]+ 227.04848 161.1
[M+K]+ 247.97782 148.7
[M+H-H2O]+ 192.01192 135.1
[M+HCOO]- 254.01286 158.9
[M+CH3COO]- 268.02851 180.0
[M+Na-2H]- 229.98933 144.1
[M]+ 209.01411 146.0
[M]- 209.01521 146.0
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

patents stripe