CID 2734493

57292-45-2

Structural Information

Molecular Formula
C14H18FNO4
SMILES
CC(C)(C)OC(=O)N[C@H](CC1=CC=C(C=C1)F)C(=O)O
InChI
InChI=1S/C14H18FNO4/c1-14(2,3)20-13(19)16-11(12(17)18)8-9-4-6-10(15)7-5-9/h4-7,11H,8H2,1-3H3,(H,16,19)(H,17,18)/t11-/m1/s1
InChIKey
RCXSXRAUMLKRRL-LLVKDONJSA-N
Compound name
(2R)-3-(4-fluorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

522
Patents

283.12198 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.12926 164.8
[M+Na]+ 306.11120 172.1
[M+NH4]+ 301.15580 169.0
[M+K]+ 322.08514 169.5
[M-H]- 282.11470 162.4
[M+Na-2H]- 304.09665 167.1
[M]+ 283.12143 164.7
[M]- 283.12253 164.7
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