CID 688148

4-bromo-3,5-dimethylphenyl n-methylcarbamate

Structural Information

Molecular Formula

C₁₀H₁₂BrNO₂

SMILES

CC1=CC(=CC(=C1Br)C)OC(=O)NC

InChI

InChI=1S/C10H12BrNO2/c1-6-4-8(14-10(13)12-3)5-7(2)9(6)11/h4-5H,1-3H3,(H,12,13)

InChIKey

ZOZFMTULOYRWEL-UHFFFAOYSA-N

Compound name

(4-bromo-3,5-dimethylphenyl) N-methylcarbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 240
Patents: 257.00513 Da
Monoisotopic Mass: 3.1
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]+	258.012406	147.1
[M+Na]+	279.994348	158.8
[M-H]-	255.997854	153.9
[M+NH4]+	275.038953	167.9
[M+K]+	295.968288	148.2
[M+H-H2O]+	240.002390	146.5
[M+HCOO]-	302.003331	169.2
[M+CH3COO]-	316.018981	195.0
[M+Na-2H]-	277.979796	152.6
[M]+	257.00458142	167.3
[M]-	257.00567858	167.3

Literature stripe

literature stripe

Patent stripe

patents stripe