CID 11116628

2408937-86-8

Structural Information

Molecular Formula
C6H10FNO4
SMILES
COC(=O)[C@@H](C[C@@H](C(=O)O)N)F
InChI
InChI=1S/C6H10FNO4/c1-12-6(11)3(7)2-4(8)5(9)10/h3-4H,2,8H2,1H3,(H,9,10)/t3-,4+/m1/s1
InChIKey
GVLURWYVNWFDFN-DMTCNVIQSA-N
Compound name
(2S,4R)-2-amino-4-fluoro-5-methoxy-5-oxopentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

179.05939 Da
Monoisotopic Mass

-2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.06667 136.2
[M+Na]+ 202.04861 141.8
[M-H]- 178.05211 133.3
[M+NH4]+ 197.09321 154.5
[M+K]+ 218.02255 142.4
[M+H-H2O]+ 162.05665 130.2
[M+HCOO]- 224.05759 155.2
[M+CH3COO]- 238.07324 180.7
[M+Na-2H]- 200.03406 136.2
[M]+ 179.05884 134.2
[M]- 179.05994 134.2
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.