CID 65335468

1089704-57-3

Structural Information

Molecular Formula
C9H8N2O2S
SMILES
CCOC(=O)C1=NC2=C(S1)N=CC=C2
InChI
InChI=1S/C9H8N2O2S/c1-2-13-9(12)8-11-6-4-3-5-10-7(6)14-8/h3-5H,2H2,1H3
InChIKey
WPHYGZDNIVMAAK-UHFFFAOYSA-N
Compound name
ethyl [1,3]thiazolo[5,4-b]pyridine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

208.03065 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.037926 141.0
[M+Na]+ 231.019868 152.4
[M-H]- 207.023374 144.1
[M+NH4]+ 226.064473 161.2
[M+K]+ 246.993808 149.7
[M+H-H2O]+ 191.027910 134.7
[M+HCOO]- 253.028851 159.8
[M+CH3COO]- 267.044501 182.1
[M+Na-2H]- 229.005316 145.7
[M]+ 208.03010142 147.3
[M]- 208.03119858 147.3
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