CID 68290620

1194374-64-5

Structural Information

Molecular Formula
C18H24BrNO3
SMILES
CC(C)(C)OC(=O)N1CCC2(CCC3=C(O2)C=CC(=C3)Br)CC1
InChI
InChI=1S/C18H24BrNO3/c1-17(2,3)23-16(21)20-10-8-18(9-11-20)7-6-13-12-14(19)4-5-15(13)22-18/h4-5,12H,6-11H2,1-3H3
InChIKey
NZSBMAJIONQUET-UHFFFAOYSA-N
Compound name
tert-butyl 6-bromospiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

381.09396 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.10124 185.2
[M+Na]+ 404.08318 192.9
[M-H]- 380.08668 192.2
[M+NH4]+ 399.12778 201.5
[M+K]+ 420.05712 183.7
[M+H-H2O]+ 364.09122 184.2
[M+HCOO]- 426.09216 194.8
[M+CH3COO]- 440.10781 211.4
[M+Na-2H]- 402.06863 190.6
[M]+ 381.09341 201.4
[M]- 381.09451 201.4
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