CID 10064926

133277-10-8

Structural Information

Molecular Formula

C₁₅H₂₀BrNO₂

SMILES

CC(C)(C)OC(=O)NC1CCC2=C(C1)C=CC(=C2)Br

InChI

InChI=1S/C15H20BrNO2/c1-15(2,3)19-14(18)17-13-7-5-10-8-12(16)6-4-11(10)9-13/h4,6,8,13H,5,7,9H2,1-3H3,(H,17,18)

InChIKey

UZFURLOGNBMQCD-UHFFFAOYSA-N

Compound name

tert-butyl N-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 80
Patents: 325.06775 Da
Monoisotopic Mass: 4.0
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]+	326.07503	170.8
[M+Na]+	348.05697	179.2
[M-H]-	324.06047	177.0
[M+NH4]+	343.10157	189.6
[M+K]+	364.03091	168.2
[M+H-H2O]+	308.06501	170.2
[M+HCOO]-	370.06595	186.9
[M+CH3COO]-	384.08160	206.0
[M+Na-2H]-	346.04242	176.1
[M]+	325.06720	188.1
[M]-	325.06830	188.1

Literature stripe

literature stripe

Patent stripe

patents stripe