CID 132354121

2138097-50-2

Structural Information

Molecular Formula
C13H19BrN2O2S
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)C2=CSC(=N2)Br
InChI
InChI=1S/C13H19BrN2O2S/c1-13(2,3)18-12(17)16-6-4-9(5-7-16)10-8-19-11(14)15-10/h8-9H,4-7H2,1-3H3
InChIKey
FJHVNEZFABTJLT-UHFFFAOYSA-N
Compound name
tert-butyl 4-(2-bromo-1,3-thiazol-4-yl)piperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 167.7
[M+Na]+ 369.02428 177.9
[M-H]- 345.02778 174.4
[M+NH4]+ 364.06888 185.2
[M+K]+ 384.99822 167.1
[M+H-H2O]+ 329.03232 167.5
[M+HCOO]- 391.03326 178.0
[M+CH3COO]- 405.04891 202.8
[M+Na-2H]- 367.00973 168.4
[M]+ 346.03451 186.9
[M]- 346.03561 186.9
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.