CID 2757037

262433-01-2

Structural Information

Molecular Formula

C₁₂H₁₆BrNO₃

SMILES

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

InChI

InChI=1S/C12H16BrNO3/c1-12(2,3)17-11(15)14-9-6-5-8(13)7-10(9)16-4/h5-7H,1-4H3,(H,14,15)

InChIKey

LFWHJZGNFWTUIO-UHFFFAOYSA-N

Compound name

tert-butyl N-(4-bromo-2-methoxyphenyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 73
Patents: 301.03137 Da
Monoisotopic Mass: 3.4
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]+	302.038646	160.3
[M+Na]+	324.020588	170.7
[M-H]-	300.024094	166.7
[M+NH4]+	319.065193	179.3
[M+K]+	339.994528	160.5
[M+H-H2O]+	284.028630	159.5
[M+HCOO]-	346.029571	180.5
[M+CH3COO]-	360.045221	201.2
[M+Na-2H]-	322.006036	166.1
[M]+	301.03082142	181.7
[M]-	301.03191858	181.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe