CID 36874

(p-chlorophenoxy)acetic acid 2-morpholinoethyl ester

Structural Information

Molecular Formula
C14H18ClNO4
SMILES
C1COCCN1CCOC(=O)COC2=CC=C(C=C2)Cl
InChI
InChI=1S/C14H18ClNO4/c15-12-1-3-13(4-2-12)20-11-14(17)19-10-7-16-5-8-18-9-6-16/h1-4H,5-11H2
InChIKey
PLAGADAOXYZAML-UHFFFAOYSA-N
Compound name
2-morpholin-4-ylethyl 2-(4-chlorophenoxy)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

299.09244 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.09972 166.0
[M+Na]+ 322.08166 178.3
[M+NH4]+ 317.12626 173.1
[M+K]+ 338.05560 171.9
[M-H]- 298.08516 169.6
[M+Na-2H]- 320.06711 171.7
[M]+ 299.09189 168.9
[M]- 299.09299 168.9
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.