CID 165755177

2758001-06-6

Structural Information

Molecular Formula
C11H15BrN2O2S
SMILES
CC(C)(C)OC(=O)N1CC(C1)C2=CSC(=N2)Br
InChI
InChI=1S/C11H15BrN2O2S/c1-11(2,3)16-10(15)14-4-7(5-14)8-6-17-9(12)13-8/h6-7H,4-5H2,1-3H3
InChIKey
ZVAJDPUQFXDXOA-UHFFFAOYSA-N
Compound name
tert-butyl 3-(2-bromo-1,3-thiazol-4-yl)azetidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

318.00375 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.01103 149.0
[M+Na]+ 340.99297 159.1
[M-H]- 316.99647 156.0
[M+NH4]+ 336.03757 161.6
[M+K]+ 356.96691 151.8
[M+H-H2O]+ 301.00101 143.8
[M+HCOO]- 363.00195 161.0
[M+CH3COO]- 377.01760 201.3
[M+Na-2H]- 338.97842 151.1
[M]+ 318.00320 178.2
[M]- 318.00430 178.2
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.