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: 17
Patents: 381.09396 Da
Monoisotopic Mass: 4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	382.101236	185.2
[M+Na]+	404.083178	192.9
[M-H]-	380.086684	192.2
[M+NH4]+	399.127783	201.5
[M+K]+	420.057118	183.7
[M+H-H2O]+	364.091220	184.2
[M+HCOO]-	426.092161	194.8
[M+CH3COO]-	440.107811	211.4
[M+Na-2H]-	402.068626	190.6
[M]+	381.09341142	201.4
[M]-	381.09450858	201.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe