CID 9814186

70406-92-7

Structural Information

Molecular Formula

C₁₁H₁₄Cl₂N₂O₂

SMILES

CCOC(=O)CNCC1=C(C=CC(=C1Cl)Cl)N

InChI

InChI=1S/C11H14Cl2N2O2/c1-2-17-10(16)6-15-5-7-9(14)4-3-8(12)11(7)13/h3-4,15H,2,5-6,14H2,1H3

InChIKey

GXKCDDOGWWCMAO-UHFFFAOYSA-N

Compound name

ethyl 2-[(6-amino-2,3-dichlorophenyl)methylamino]acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 72
Patents: 276.04324 Da
Monoisotopic Mass: 2.7
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]+	277.05052	158.2
[M+Na]+	299.03246	170.1
[M+NH4]+	294.07706	165.6
[M+K]+	315.00640	163.3
[M-H]-	275.03596	160.3
[M+Na-2H]-	297.01791	163.3
[M]+	276.04269	160.9
[M]-	276.04379	160.9

Literature stripe

literature stripe

Patent stripe

patents stripe