CID 45115949

95048-76-3

Structural Information

Molecular Formula
C6H8FNO3
SMILES
COC(=O)[C@@H]1C[C@@H](C(=O)N1)F
InChI
InChI=1S/C6H8FNO3/c1-11-6(10)4-2-3(7)5(9)8-4/h3-4H,2H2,1H3,(H,8,9)/t3-,4-/m0/s1
InChIKey
IVCVISIMTCJZHG-IMJSIDKUSA-N
Compound name
methyl (2S,4S)-4-fluoro-5-oxopyrrolidine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

161.04883 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.05611 129.7
[M+Na]+ 184.03805 137.9
[M-H]- 160.04155 129.4
[M+NH4]+ 179.08265 150.3
[M+K]+ 200.01199 136.8
[M+H-H2O]+ 144.04609 123.6
[M+HCOO]- 206.04703 149.2
[M+CH3COO]- 220.06268 172.6
[M+Na-2H]- 182.02350 131.6
[M]+ 161.04828 126.7
[M]- 161.04938 126.7
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

patents stripe