CID 11149032

5-methyl-4,5,6,7-tetrahydro[1,3]thiazolo[5,4-c]pyridine-2-carboxylic acid hydrochloride

Structural Information

Molecular Formula
C8H10N2O2S
SMILES
CN1CCC2=C(C1)SC(=N2)C(=O)O
InChI
InChI=1S/C8H10N2O2S/c1-10-3-2-5-6(4-10)13-7(9-5)8(11)12/h2-4H2,1H3,(H,11,12)
InChIKey
URPHLHADYVVAIF-UHFFFAOYSA-N
Compound name
5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

325
Patents

198.0463 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.05358 140.4
[M+Na]+ 221.03552 149.3
[M-H]- 197.03902 141.2
[M+NH4]+ 216.08012 160.0
[M+K]+ 237.00946 146.6
[M+H-H2O]+ 181.04356 134.7
[M+HCOO]- 243.04450 153.5
[M+CH3COO]- 257.06015 179.3
[M+Na-2H]- 219.02097 141.7
[M]+ 198.04575 140.7
[M]- 198.04685 140.7
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