CID 155821420

2445784-59-6

Structural Information

Molecular Formula
C9H16FNO4
SMILES
CCOC(=O)C(C(C)N)(C(=O)OCC)F
InChI
InChI=1S/C9H16FNO4/c1-4-14-7(12)9(10,6(3)11)8(13)15-5-2/h6H,4-5,11H2,1-3H3
InChIKey
RIPDHUPWZWRIMS-UHFFFAOYSA-N
Compound name
diethyl 2-(1-aminoethyl)-2-fluoropropanedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

221.10634 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.11362 148.4
[M+Na]+ 244.09556 153.9
[M-H]- 220.09906 146.7
[M+NH4]+ 239.14016 166.1
[M+K]+ 260.06950 154.7
[M+H-H2O]+ 204.10360 142.4
[M+HCOO]- 266.10454 167.5
[M+CH3COO]- 280.12019 190.9
[M+Na-2H]- 242.08101 149.7
[M]+ 221.10579 149.6
[M]- 221.10689 149.6
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.