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]+ 194.08232 140.4
[M+Na]+ 216.06426 146.1
[M-H]- 192.06776 138.8
[M+NH4]+ 211.10886 159.1
[M+K]+ 232.03820 147.4
[M+H-H2O]+ 176.07230 134.1
[M+HCOO]- 238.07324 160.7
[M+CH3COO]- 252.08889 185.5
[M+Na-2H]- 214.04971 140.5
[M]+ 193.07449 140.7
[M]- 193.07559 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.