CID 46638

2,4-dichlorophenoxyacetic acid 2-dimethylaminoethyl ester hydrochloride

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

5
Patents

291.0429 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.05018 160.3
[M+Na]+ 314.03212 172.9
[M+NH4]+ 309.07672 167.9
[M+K]+ 330.00606 166.2
[M-H]- 290.03562 162.1
[M+Na-2H]- 312.01757 166.0
[M]+ 291.04235 163.1
[M]- 291.04345 163.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe