CID 131848499

2580099-67-6

Structural Information

Molecular Formula
C7H12FNO4
SMILES
COC(=O)[C@H](C[C@H](C(=O)OC)F)N
InChI
InChI=1S/C7H12FNO4/c1-12-6(10)4(8)3-5(9)7(11)13-2/h4-5H,3,9H2,1-2H3/t4-,5+/m1/s1
InChIKey
WGKAYFMXPQJHIV-UHNVWZDZSA-N
Compound name
dimethyl (2S,4R)-2-amino-4-fluoropentanedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

193.07504 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.082316 140.4
[M+Na]+ 216.064258 146.1
[M-H]- 192.067764 138.8
[M+NH4]+ 211.108863 159.1
[M+K]+ 232.038198 147.4
[M+H-H2O]+ 176.072300 134.1
[M+HCOO]- 238.073241 160.7
[M+CH3COO]- 252.088891 185.5
[M+Na-2H]- 214.049706 140.5
[M]+ 193.07449142 140.7
[M]- 193.07558858 140.7
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.