CID 58180056

951259-16-8

Structural Information

Molecular Formula
C13H19BrN2O2S
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)C2=NC=C(S2)Br
InChI
InChI=1S/C13H19BrN2O2S/c1-13(2,3)18-12(17)16-6-4-9(5-7-16)11-15-8-10(14)19-11/h8-9H,4-7H2,1-3H3
InChIKey
FJQABAIILWOQDF-UHFFFAOYSA-N
Compound name
tert-butyl 4-(5-bromo-1,3-thiazol-2-yl)piperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

346.03506 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.04234 165.0
[M+Na]+ 369.02428 165.3
[M+NH4]+ 364.06888 168.5
[M+K]+ 384.99822 166.7
[M-H]- 345.02778 164.6
[M+Na-2H]- 367.00973 166.1
[M]+ 346.03451 164.0
[M]- 346.03561 164.0
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

patents stripe