CID 131704241

Db03371

Structural Information

Molecular Formula
C10H16FNO8
SMILES
C(CC(=O)O[C@@H]1[C@@]([C@@H]([C@H](O1)CO)O)(O)F)[C@@H](C(=O)O)N
InChI
InChI=1S/C10H16FNO8/c11-10(18)7(15)5(3-13)19-9(10)20-6(14)2-1-4(12)8(16)17/h4-5,7,9,13,15,18H,1-3,12H2,(H,16,17)/t4-,5+,7+,9+,10+/m0/s1
InChIKey
DAZJIIGIBQQBAL-WLUSSPCKSA-N
Compound name
(2S)-2-amino-5-[(2R,3S,4R,5R)-3-fluoro-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-5-oxopentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.086 Da
Monoisotopic Mass

-4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.09328 160.0
[M+Na]+ 320.07522 164.6
[M-H]- 296.07872 156.8
[M+NH4]+ 315.11982 173.9
[M+K]+ 336.04916 165.0
[M+H-H2O]+ 280.08326 155.1
[M+HCOO]- 342.08420 173.1
[M+CH3COO]- 356.09985 194.5
[M+Na-2H]- 318.06067 158.2
[M]+ 297.08545 158.0
[M]- 297.08655 158.0
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.