CID 46638

64046-52-2

Structural Information

Molecular Formula

C₁₂H₁₅Cl₂NO₃

SMILES

CN(C)CCOC(=O)COC1=C(C=C(C=C1)Cl)Cl

InChI

InChI=1S/C12H15Cl2NO3/c1-15(2)5-6-17-12(16)8-18-11-4-3-9(13)7-10(11)14/h3-4,7H,5-6,8H2,1-2H3

InChIKey

PQKAGVMRVRXOEK-UHFFFAOYSA-N

Compound name

2-(dimethylamino)ethyl 2-(2,4-dichlorophenoxy)acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 291.0429 Da
Monoisotopic Mass: 3.2
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]+	292.050176	160.6
[M+Na]+	314.032118	169.1
[M-H]-	290.035624	165.1
[M+NH4]+	309.076723	178.2
[M+K]+	330.006058	165.7
[M+H-H2O]+	274.040160	155.7
[M+HCOO]-	336.041101	176.1
[M+CH3COO]-	350.056751	204.5
[M+Na-2H]-	312.017566	163.1
[M]+	291.04235142	169.0
[M]-	291.04344858	169.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe