CID 131344495

2091520-30-6

Structural Information

Molecular Formula
C8H10N2O2S
SMILES
COC(=O)C1=NC2=C(S1)NCCC2
InChI
InChI=1S/C8H10N2O2S/c1-12-8(11)7-10-5-3-2-4-9-6(5)13-7/h9H,2-4H2,1H3
InChIKey
JDJJUIBCAWFLRB-UHFFFAOYSA-N
Compound name
methyl 4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-b]pyridine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

198.0463 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.05358 141.2
[M+Na]+ 221.03552 151.0
[M+NH4]+ 216.08012 149.2
[M+K]+ 237.00946 146.0
[M-H]- 197.03902 141.0
[M+Na-2H]- 219.02097 144.0
[M]+ 198.04575 142.7
[M]- 198.04685 142.7
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

No patent data available for this compound.