CID 155937821

Tert-butyl 6-bromo-3h-spiro[2-benzofuran-1,3'-pyrrolidine]-1'-carboxylate

Structural Information

Molecular Formula
C16H20BrNO3
SMILES
CC(C)(C)OC(=O)N1CCC2(C1)C3=C(CO2)C=CC(=C3)Br
InChI
InChI=1S/C16H20BrNO3/c1-15(2,3)21-14(19)18-7-6-16(10-18)13-8-12(17)5-4-11(13)9-20-16/h4-5,8H,6-7,9-10H2,1-3H3
InChIKey
HAFHFYDLZGQYSF-UHFFFAOYSA-N
Compound name
tert-butyl 5-bromospiro[1H-2-benzofuran-3,3'-pyrrolidine]-1'-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

353.06265 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.06993 181.2
[M+Na]+ 376.05187 192.0
[M-H]- 352.05537 189.8
[M+NH4]+ 371.09647 202.5
[M+K]+ 392.02581 183.0
[M+H-H2O]+ 336.05991 182.7
[M+HCOO]- 398.06085 195.9
[M+CH3COO]- 412.07650 205.0
[M+Na-2H]- 374.03732 184.6
[M]+ 353.06210 200.9
[M]- 353.06320 200.9
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.