CID 165818577

2825006-84-4

Structural Information

Molecular Formula
C14H20ClNO2
SMILES
CCOC(=O)C(CNC(C)C)C1=CC=C(C=C1)Cl
InChI
InChI=1S/C14H20ClNO2/c1-4-18-14(17)13(9-16-10(2)3)11-5-7-12(15)8-6-11/h5-8,10,13,16H,4,9H2,1-3H3
InChIKey
WWDBUHNDGFILSE-UHFFFAOYSA-N
Compound name
ethyl 2-(4-chlorophenyl)-3-(propan-2-ylamino)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.11826 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.125536 162.9
[M+Na]+ 292.107478 168.6
[M-H]- 268.110984 166.0
[M+NH4]+ 287.152083 179.9
[M+K]+ 308.081418 165.2
[M+H-H2O]+ 252.115520 157.1
[M+HCOO]- 314.116461 180.0
[M+CH3COO]- 328.132111 201.2
[M+Na-2H]- 290.092926 163.8
[M]+ 269.11771142 166.6
[M]- 269.11880858 166.6
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.