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 160.6
[M+Na]+ 314.03212 169.1
[M-H]- 290.03562 165.1
[M+NH4]+ 309.07672 178.2
[M+K]+ 330.00606 165.7
[M+H-H2O]+ 274.04016 155.7
[M+HCOO]- 336.04110 176.1
[M+CH3COO]- 350.05675 204.5
[M+Na-2H]- 312.01757 163.1
[M]+ 291.04235 169.0
[M]- 291.04345 169.0
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