CID 102871

2708-77-2

Structural Information

Molecular Formula
C5H8FNO4
SMILES
C(C(C(=O)O)N)C(C(=O)O)F
InChI
InChI=1S/C5H8FNO4/c6-2(4(8)9)1-3(7)5(10)11/h2-3H,1,7H2,(H,8,9)(H,10,11)
InChIKey
JPSHPWJJSVEEAX-UHFFFAOYSA-N
Compound name
2-amino-4-fluoropentanedioic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

15
References

365
Patents

165.04373 Da
Monoisotopic Mass

-3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.05101 132.0
[M+Na]+ 188.03295 137.4
[M-H]- 164.03645 127.8
[M+NH4]+ 183.07755 150.0
[M+K]+ 204.00689 137.5
[M+H-H2O]+ 148.04099 126.3
[M+HCOO]- 210.04193 149.8
[M+CH3COO]- 224.05758 175.9
[M+Na-2H]- 186.01840 131.9
[M]+ 165.04318 127.7
[M]- 165.04428 127.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe