CID 86814227

1690999-28-0

Structural Information

Molecular Formula
C14H18FNO4
SMILES
CC(C)(C)OC(=O)NCC(C1=CC=C(C=C1)F)C(=O)O
InChI
InChI=1S/C14H18FNO4/c1-14(2,3)20-13(19)16-8-11(12(17)18)9-4-6-10(15)7-5-9/h4-7,11H,8H2,1-3H3,(H,16,19)(H,17,18)
InChIKey
TYMGSGFHPJNEJD-UHFFFAOYSA-N
Compound name
2-(4-fluorophenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

48
Patents

283.12198 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.12926 163.8
[M+Na]+ 306.11120 168.9
[M-H]- 282.11470 164.6
[M+NH4]+ 301.15580 178.6
[M+K]+ 322.08514 167.6
[M+H-H2O]+ 266.11924 156.8
[M+HCOO]- 328.12018 182.0
[M+CH3COO]- 342.13583 200.1
[M+Na-2H]- 304.09665 165.2
[M]+ 283.12143 163.9
[M]- 283.12253 163.9
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

patents stripe