CID 146082131

2408935-74-8

Structural Information

Molecular Formula
C14H24FNO6
SMILES
CC(C)(C)OC(=O)[C@H](C[C@@H](C(=O)O)F)NC(=O)OC(C)(C)C
InChI
InChI=1S/C14H24FNO6/c1-13(2,3)21-11(19)9(7-8(15)10(17)18)16-12(20)22-14(4,5)6/h8-9H,7H2,1-6H3,(H,16,20)(H,17,18)/t8-,9-/m0/s1
InChIKey
YFJQIFSGTBGFHO-IUCAKERBSA-N
Compound name
(2S,4S)-2-fluoro-5-[(2-methylpropan-2-yl)oxy]-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

321.15875 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.16603 171.3
[M+Na]+ 344.14797 174.6
[M-H]- 320.15147 168.4
[M+NH4]+ 339.19257 184.7
[M+K]+ 360.12191 176.2
[M+H-H2O]+ 304.15601 165.7
[M+HCOO]- 366.15695 182.5
[M+CH3COO]- 380.17260 207.6
[M+Na-2H]- 342.13342 170.3
[M]+ 321.15820 173.7
[M]- 321.15930 173.7
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

No patent data available for this compound.