CID 67402659

Ethyl 3-fluoro-2-oxopiperidine-3-carboxylate

Structural Information

Molecular Formula
C8H12FNO3
SMILES
CCOC(=O)C1(CCCNC1=O)F
InChI
InChI=1S/C8H12FNO3/c1-2-13-7(12)8(9)4-3-5-10-6(8)11/h2-5H2,1H3,(H,10,11)
InChIKey
HZFXUWSKOCXJRG-UHFFFAOYSA-N
Compound name
ethyl 3-fluoro-2-oxopiperidine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

189.08012 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.08740 138.6
[M+Na]+ 212.06934 145.1
[M-H]- 188.07284 137.8
[M+NH4]+ 207.11394 158.0
[M+K]+ 228.04328 143.9
[M+H-H2O]+ 172.07738 132.5
[M+HCOO]- 234.07832 155.4
[M+CH3COO]- 248.09397 177.3
[M+Na-2H]- 210.05479 142.7
[M]+ 189.07957 134.3
[M]- 189.08067 134.3
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.