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 177.8
[M+Na]+ 360.05697 189.9
[M-H]- 336.06047 185.8
[M+NH4]+ 355.10157 193.1
[M+K]+ 376.03091 178.9
[M+H-H2O]+ 320.06501 177.7
[M+HCOO]- 382.06595 191.7
[M+CH3COO]- 396.08160 207.4
[M+Na-2H]- 358.04242 183.8
[M]+ 337.06720 198.1
[M]- 337.06830 198.1
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