CID 54918547

Ethyl 2-(cyclopropylamino)-2-(2,4-dichlorophenyl)acetate hydrochloride

Structural Information

Molecular Formula
C13H15Cl2NO2
SMILES
CCOC(=O)C(C1=C(C=C(C=C1)Cl)Cl)NC2CC2
InChI
InChI=1S/C13H15Cl2NO2/c1-2-18-13(17)12(16-9-4-5-9)10-6-3-8(14)7-11(10)15/h3,6-7,9,12,16H,2,4-5H2,1H3
InChIKey
VKHYERDQUVKMGA-UHFFFAOYSA-N
Compound name
ethyl 2-(cyclopropylamino)-2-(2,4-dichlorophenyl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

287.04797 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.05525 154.7
[M+Na]+ 310.03719 163.6
[M-H]- 286.04069 161.2
[M+NH4]+ 305.08179 166.9
[M+K]+ 326.01113 157.9
[M+H-H2O]+ 270.04523 149.4
[M+HCOO]- 332.04617 168.9
[M+CH3COO]- 346.06182 203.8
[M+Na-2H]- 308.02264 157.1
[M]+ 287.04742 161.1
[M]- 287.04852 161.1
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

No patent data available for this compound.