CID 39753

N-((2,4-dichlorophenoxy)acetyl)-l-alanine

Structural Information

Molecular Formula
C11H11Cl2NO4
SMILES
CC(C(=O)O)NC(=O)COC1=C(C=C(C=C1)Cl)Cl
InChI
InChI=1S/C11H11Cl2NO4/c1-6(11(16)17)14-10(15)5-18-9-3-2-7(12)4-8(9)13/h2-4,6H,5H2,1H3,(H,14,15)(H,16,17)
InChIKey
SHQGIYUBFHJOPP-UHFFFAOYSA-N
Compound name
2-[[2-(2,4-dichlorophenoxy)acetyl]amino]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

291.0065 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.01378 158.4
[M+Na]+ 313.99572 169.3
[M+NH4]+ 309.04032 164.5
[M+K]+ 329.96966 164.7
[M-H]- 289.99922 158.2
[M+Na-2H]- 311.98117 162.3
[M]+ 291.00595 160.1
[M]- 291.00705 160.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.