CID 82413083

4-(1,3-thiazol-5-yl)piperidine dihydrochloride

Structural Information

Molecular Formula
C8H12N2S
SMILES
C1CNCCC1C2=CN=CS2
InChI
InChI=1S/C8H12N2S/c1-3-9-4-2-7(1)8-5-10-6-11-8/h5-7,9H,1-4H2
InChIKey
JXWMKEUIJSXMCW-UHFFFAOYSA-N
Compound name
5-piperidin-4-yl-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

168.07211 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.07939 134.6
[M+Na]+ 191.06133 141.1
[M-H]- 167.06483 136.9
[M+NH4]+ 186.10593 153.8
[M+K]+ 207.03527 137.9
[M+H-H2O]+ 151.06937 127.5
[M+HCOO]- 213.07031 148.5
[M+CH3COO]- 227.08596 146.5
[M+Na-2H]- 189.04678 136.3
[M]+ 168.07156 129.8
[M]- 168.07266 129.8
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.