CID 2764323

Methyl 2-amino-2-(4-bromophenyl)acetate hydrochloride

Structural Information

Molecular Formula

C₉H₁₀BrNO₂

SMILES

COC(=O)C(C1=CC=C(C=C1)Br)N

InChI

InChI=1S/C9H10BrNO2/c1-13-9(12)8(11)6-2-4-7(10)5-3-6/h2-5,8H,11H2,1H3

InChIKey

YERRTOUSFSZICJ-UHFFFAOYSA-N

Compound name

methyl 2-amino-2-(4-bromophenyl)acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 916
Patents: 242.98949 Da
Monoisotopic Mass: 1.6
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]+	243.99677	145.2
[M+Na]+	265.97871	155.3
[M-H]-	241.98221	150.9
[M+NH4]+	261.02331	165.6
[M+K]+	281.95265	144.9
[M+H-H2O]+	225.98675	144.4
[M+HCOO]-	287.98769	166.1
[M+CH3COO]-	302.00334	190.8
[M+Na-2H]-	263.96416	150.2
[M]+	242.98894	162.9
[M]-	242.99004	162.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe