CID 45788819

4-(5-bromo-1,3-thiazol-2-yl)piperidine

Structural Information

Molecular Formula
C8H11BrN2S
SMILES
C1CNCCC1C2=NC=C(S2)Br
InChI
InChI=1S/C8H11BrN2S/c9-7-5-11-8(12-7)6-1-3-10-4-2-6/h5-6,10H,1-4H2
InChIKey
JKCFAWHVWHAWMM-UHFFFAOYSA-N
Compound name
5-bromo-2-piperidin-4-yl-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

245.98264 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.989916 139.1
[M+Na]+ 268.971858 150.3
[M-H]- 244.975364 144.7
[M+NH4]+ 264.016463 159.6
[M+K]+ 284.945798 138.5
[M+H-H2O]+ 228.979900 139.3
[M+HCOO]- 290.980841 151.6
[M+CH3COO]- 304.996491 153.2
[M+Na-2H]- 266.957306 142.4
[M]+ 245.98209142 154.0
[M]- 245.98318858 154.0
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.