CID 66555337

1398609-80-7

Structural Information

Molecular Formula
C15H18BrNO3
SMILES
CC(C)(C)OC(=O)N1CC2(C1)C3=C(CO2)C=C(C=C3)Br
InChI
InChI=1S/C15H18BrNO3/c1-14(2,3)20-13(18)17-8-15(9-17)12-5-4-11(16)6-10(12)7-19-15/h4-6H,7-9H2,1-3H3
InChIKey
OKUKFGKSJZBSBP-UHFFFAOYSA-N
Compound name
tert-butyl 6-bromospiro[1H-2-benzofuran-3,3'-azetidine]-1'-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

80
Patents

339.047 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.05428 170.2
[M+Na]+ 362.03622 167.9
[M+NH4]+ 357.08082 171.8
[M+K]+ 378.01016 170.6
[M-H]- 338.03972 168.3
[M+Na-2H]- 360.02167 169.2
[M]+ 339.04645 167.3
[M]- 339.04755 167.3
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