CID 68230333

1203684-92-7

Structural Information

Molecular Formula
C16H20BrNO2
SMILES
CC(C)(C)OC(=O)N1CC2=C(C=CC(=C2)Br)C3(C1)CC3
InChI
InChI=1S/C16H20BrNO2/c1-15(2,3)20-14(19)18-9-11-8-12(17)4-5-13(11)16(10-18)6-7-16/h4-5,8H,6-7,9-10H2,1-3H3
InChIKey
SPKVDLFDICLOLM-UHFFFAOYSA-N
Compound name
tert-butyl 7-bromospiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

337.06775 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.07503 163.0
[M+Na]+ 360.05697 167.4
[M+NH4]+ 355.10157 169.5
[M+K]+ 376.03091 167.1
[M-H]- 336.06047 169.7
[M+Na-2H]- 358.04242 168.7
[M]+ 337.06720 165.6
[M]- 337.06830 165.6
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