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

7
Patents

198.0463 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.053576 140.6
[M+Na]+ 221.035518 148.8
[M-H]- 197.039024 141.2
[M+NH4]+ 216.080123 160.1
[M+K]+ 237.009458 146.2
[M+H-H2O]+ 181.043560 134.7
[M+HCOO]- 243.044501 153.8
[M+CH3COO]- 257.060151 177.5
[M+Na-2H]- 219.020966 142.6
[M]+ 198.04575142 140.5
[M]- 198.04684858 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