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: 13
Patents: 337.06775 Da
Monoisotopic Mass: 3.6
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]+	338.075026	177.8
[M+Na]+	360.056968	189.9
[M-H]-	336.060474	185.8
[M+NH4]+	355.101573	193.1
[M+K]+	376.030908	178.9
[M+H-H2O]+	320.065010	177.7
[M+HCOO]-	382.065951	191.7
[M+CH3COO]-	396.081601	207.4
[M+Na-2H]-	358.042416	183.8
[M]+	337.06720142	198.1
[M]-	337.06829858	198.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe