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

269
Patents

140.04082 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.048096 125.0
[M+Na]+ 163.030038 133.5
[M-H]- 139.033544 125.5
[M+NH4]+ 158.074643 146.8
[M+K]+ 179.003978 130.7
[M+H-H2O]+ 123.038080 119.2
[M+HCOO]- 185.039021 139.4
[M+CH3COO]- 199.054671 138.0
[M+Na-2H]- 161.015486 129.5
[M]+ 140.04027142 122.4
[M]- 140.04136858 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