CID 21941992

165948-23-2

Structural Information

Molecular Formula
C6H8N2S
SMILES
C1CNCC2=C1N=CS2
InChI
InChI=1S/C6H8N2S/c1-2-7-3-6-5(1)8-4-9-6/h4,7H,1-3H2
InChIKey
QSLDIPUHQBHQGY-UHFFFAOYSA-N
Compound name
4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

636
Patents

140.04082 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.04810 125.0
[M+Na]+ 163.03004 133.5
[M-H]- 139.03354 125.5
[M+NH4]+ 158.07464 146.8
[M+K]+ 179.00398 130.7
[M+H-H2O]+ 123.03808 119.2
[M+HCOO]- 185.03902 139.4
[M+CH3COO]- 199.05467 138.0
[M+Na-2H]- 161.01549 129.5
[M]+ 140.04027 122.4
[M]- 140.04137 122.4
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