CID 49760968

1160247-39-1

Structural Information

Molecular Formula
C18H24BrNO2
SMILES
CC(C)(C)OC(=O)N1CCC2(CCC3=C2C=C(C=C3)Br)CC1
InChI
InChI=1S/C18H24BrNO2/c1-17(2,3)22-16(21)20-10-8-18(9-11-20)7-6-13-4-5-14(19)12-15(13)18/h4-5,12H,6-11H2,1-3H3
InChIKey
CDHOLYWZXHSSIC-UHFFFAOYSA-N
Compound name
tert-butyl 5-bromospiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

365.09903 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.10631 185.7
[M+Na]+ 388.08825 194.7
[M-H]- 364.09175 192.7
[M+NH4]+ 383.13285 205.8
[M+K]+ 404.06219 183.6
[M+H-H2O]+ 348.09629 185.7
[M+HCOO]- 410.09723 198.2
[M+CH3COO]- 424.11288 208.7
[M+Na-2H]- 386.07370 188.6
[M]+ 365.09848 202.0
[M]- 365.09958 202.0
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