CID 58117032

Ethyl 5-methyl-4h,5h,6h,7h-[1,3]thiazolo[5,4-c]pyridine-2-carboxylate

Structural Information

Molecular Formula
C10H14N2O2S
SMILES
CCOC(=O)C1=NC2=C(S1)CN(CC2)C
InChI
InChI=1S/C10H14N2O2S/c1-3-14-10(13)9-11-7-4-5-12(2)6-8(7)15-9/h3-6H2,1-2H3
InChIKey
MQNZLFYVIHQRLR-UHFFFAOYSA-N
Compound name
ethyl 5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

226.0776 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.08488 149.2
[M+Na]+ 249.06682 157.7
[M-H]- 225.07032 151.1
[M+NH4]+ 244.11142 168.5
[M+K]+ 265.04076 155.5
[M+H-H2O]+ 209.07486 142.9
[M+HCOO]- 271.07580 163.2
[M+CH3COO]- 285.09145 187.2
[M+Na-2H]- 247.05227 149.9
[M]+ 226.07705 152.0
[M]- 226.07815 152.0
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