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 163.8
[M+Na]+ 362.03622 173.8
[M-H]- 338.03972 172.3
[M+NH4]+ 357.08082 178.1
[M+K]+ 378.01016 167.9
[M+H-H2O]+ 322.04426 160.7
[M+HCOO]- 384.04520 178.1
[M+CH3COO]- 398.06085 206.3
[M+Na-2H]- 360.02167 170.2
[M]+ 339.04645 192.4
[M]- 339.04755 192.4
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

patents stripe