CID 83682549

4-(1,3-thiazol-5-yl)-1,2,3,6-tetrahydropyridinedihydrochloride

Structural Information

Molecular Formula
C8H10N2S
SMILES
C1CNCC=C1C2=CN=CS2
InChI
InChI=1S/C8H10N2S/c1-3-9-4-2-7(1)8-5-10-6-11-8/h1,5-6,9H,2-4H2
InChIKey
UOMHIVOWENCAEZ-UHFFFAOYSA-N
Compound name
5-(1,2,3,6-tetrahydropyridin-4-yl)-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

166.05647 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.06375 132.8
[M+Na]+ 189.04569 140.5
[M-H]- 165.04919 135.5
[M+NH4]+ 184.09029 152.2
[M+K]+ 205.01963 136.9
[M+H-H2O]+ 149.05373 125.8
[M+HCOO]- 211.05467 148.2
[M+CH3COO]- 225.07032 145.3
[M+Na-2H]- 187.03114 135.5
[M]+ 166.05592 129.4
[M]- 166.05702 129.4
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

No patent data available for this compound.