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]+ 246.98992 139.8
[M+Na]+ 268.97186 141.7
[M+NH4]+ 264.01646 145.3
[M+K]+ 284.94580 141.6
[M-H]- 244.97536 140.9
[M+Na-2H]- 266.95731 142.8
[M]+ 245.98209 139.4
[M]- 245.98319 139.4
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.