CID 9814186

Ethyl 2-((6-amino-2,3-dichlorobenzyl)amino)acetate

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

78
Patents

276.04324 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.05052 159.6
[M+Na]+ 299.03246 168.4
[M-H]- 275.03596 162.5
[M+NH4]+ 294.07706 176.9
[M+K]+ 315.00640 163.1
[M+H-H2O]+ 259.04050 155.1
[M+HCOO]- 321.04144 175.0
[M+CH3COO]- 335.05709 201.7
[M+Na-2H]- 297.01791 161.6
[M]+ 276.04269 163.5
[M]- 276.04379 163.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe