CID 54080265

2445784-16-5

Structural Information

Molecular Formula

C₁₀H₁₂BrNO₂

SMILES

CNC(C1=CC=CC=C1Br)C(=O)OC

InChI

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

InChIKey

MMPLZSBZRAQUFQ-UHFFFAOYSA-N

Compound name

methyl 2-(2-bromophenyl)-2-(methylamino)acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 257.00513 Da
Monoisotopic Mass: 2.1
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]+	258.01241	146.8
[M+Na]+	279.99435	148.7
[M+NH4]+	275.03895	150.9
[M+K]+	295.96829	149.5
[M-H]-	255.99785	147.1
[M+Na-2H]-	277.97980	149.7
[M]+	257.00458	145.8
[M]-	257.00568	145.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe