CID 21648460

2365418-28-4

Structural Information

Molecular Formula
C6H8N2S
SMILES
C1CNCC2=C1SC=N2
InChI
InChI=1S/C6H8N2S/c1-2-7-3-5-6(1)9-4-8-5/h4,7H,1-3H2
InChIKey
NDYHLSOVAPQOPI-UHFFFAOYSA-N
Compound name
4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

191
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

No literature data available for this compound.

Patent stripe

patents stripe