CID 52988051

1032350-06-3

Structural Information

Molecular Formula

C₁₅H₂₀BrNO₂

SMILES

CC(C)(C)OC(=O)NC1(CCC1)C2=CC=C(C=C2)Br

InChI

InChI=1S/C15H20BrNO2/c1-14(2,3)19-13(18)17-15(9-4-10-15)11-5-7-12(16)8-6-11/h5-8H,4,9-10H2,1-3H3,(H,17,18)

InChIKey

DVTBDRZBNXFPLU-UHFFFAOYSA-N

Compound name

tert-butyl N-[1-(4-bromophenyl)cyclobutyl]carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 136
Patents: 325.06775 Da
Monoisotopic Mass: 3.8
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]+	326.075026	164.0
[M+Na]+	348.056968	171.4
[M-H]-	324.060474	172.4
[M+NH4]+	343.101573	177.4
[M+K]+	364.030908	163.9
[M+H-H2O]+	308.065010	158.9
[M+HCOO]-	370.065951	181.5
[M+CH3COO]-	384.081601	207.0
[M+Na-2H]-	346.042416	169.9
[M]+	325.06720142	190.0
[M]-	325.06829858	190.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe