CID 53420901

885270-68-8

Structural Information

Molecular Formula

C₁₁H₁₅BrN₂O₂

SMILES

CC(C)(C)OC(=O)NC1=C(C=CC(=C1)N)Br

InChI

InChI=1S/C11H15BrN2O2/c1-11(2,3)16-10(15)14-9-6-7(13)4-5-8(9)12/h4-6H,13H2,1-3H3,(H,14,15)

InChIKey

TXGJDADLVDVRCQ-UHFFFAOYSA-N

Compound name

tert-butyl N-(5-amino-2-bromophenyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 286.03168 Da
Monoisotopic Mass: 2.5
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]+	287.038956	157.8
[M+Na]+	309.020898	167.7
[M-H]-	285.024404	163.7
[M+NH4]+	304.065503	176.7
[M+K]+	324.994838	156.6
[M+H-H2O]+	269.028940	156.4
[M+HCOO]-	331.029881	178.3
[M+CH3COO]-	345.045531	200.6
[M+Na-2H]-	307.006346	163.1
[M]+	286.03113142	175.6
[M]-	286.03222858	175.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.