CID 131364676

Methyl 2-amino-2-(3-bromo-2-methylphenyl)acetate hydrochloride

Structural Information

Molecular Formula

C₁₀H₁₂BrNO₂

SMILES

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

InChI

InChI=1S/C10H12BrNO2/c1-6-7(4-3-5-8(6)11)9(12)10(13)14-2/h3-5,9H,12H2,1-2H3

InChIKey

OECMFEGUVDIEGN-UHFFFAOYSA-N

Compound name

methyl 2-amino-2-(3-bromo-2-methylphenyl)acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 257.00513 Da
Monoisotopic Mass: 2.0
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]+	258.012406	149.1
[M+Na]+	279.994348	159.7
[M-H]-	255.997854	155.1
[M+NH4]+	275.038953	169.3
[M+K]+	295.968288	149.1
[M+H-H2O]+	240.002390	148.3
[M+HCOO]-	302.003331	169.7
[M+CH3COO]-	316.018981	194.8
[M+Na-2H]-	277.979796	153.0
[M]+	257.00458142	167.5
[M]-	257.00567858	167.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.