CID 154577673

2387225-14-9

Structural Information

Molecular Formula
C14H18FNO5
SMILES
CC(C)(C)OC(=O)NCC(C(=O)O)OC1=CC=C(C=C1)F
InChI
InChI=1S/C14H18FNO5/c1-14(2,3)21-13(19)16-8-11(12(17)18)20-10-6-4-9(15)5-7-10/h4-7,11H,8H2,1-3H3,(H,16,19)(H,17,18)
InChIKey
QGYMXMUEMKNEFZ-UHFFFAOYSA-N
Compound name
2-(4-fluorophenoxy)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

299.1169 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.12418 166.4
[M+Na]+ 322.10612 171.4
[M-H]- 298.10962 167.1
[M+NH4]+ 317.15072 180.4
[M+K]+ 338.08006 170.7
[M+H-H2O]+ 282.11416 159.1
[M+HCOO]- 344.11510 184.8
[M+CH3COO]- 358.13075 202.3
[M+Na-2H]- 320.09157 168.0
[M]+ 299.11635 167.9
[M]- 299.11745 167.9
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.