CID 124190807

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

Structural Information

Molecular Formula
C8H10N2O2S
SMILES
COC(=O)C1=NC2=C(S1)CCNC2
InChI
InChI=1S/C8H10N2O2S/c1-12-8(11)7-10-5-4-9-3-2-6(5)13-7/h9H,2-4H2,1H3
InChIKey
QYDYYMJQZBBJKZ-UHFFFAOYSA-N
Compound name
methyl 4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

198.0463 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.05358 140.6
[M+Na]+ 221.03552 148.8
[M-H]- 197.03902 141.2
[M+NH4]+ 216.08012 160.1
[M+K]+ 237.00946 146.2
[M+H-H2O]+ 181.04356 134.7
[M+HCOO]- 243.04450 153.8
[M+CH3COO]- 257.06015 177.5
[M+Na-2H]- 219.02097 142.6
[M]+ 198.04575 140.5
[M]- 198.04685 140.5
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