CID 44890910

886364-67-6

Structural Information

Molecular Formula
C13H18ClNO2
SMILES
CCOC(=O)C(CC1=CC=C(C=C1)Cl)CNC
InChI
InChI=1S/C13H18ClNO2/c1-3-17-13(16)11(9-15-2)8-10-4-6-12(14)7-5-10/h4-7,11,15H,3,8-9H2,1-2H3
InChIKey
PRNOKYQJYNTYMR-UHFFFAOYSA-N
Compound name
ethyl 2-[(4-chlorophenyl)methyl]-3-(methylamino)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.1026 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.10988 158.3
[M+Na]+ 278.09182 164.7
[M-H]- 254.09532 161.5
[M+NH4]+ 273.13642 176.0
[M+K]+ 294.06576 161.1
[M+H-H2O]+ 238.09986 152.6
[M+HCOO]- 300.10080 176.8
[M+CH3COO]- 314.11645 197.3
[M+Na-2H]- 276.07727 161.0
[M]+ 255.10205 162.2
[M]- 255.10315 162.2
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.