CID 560340

4-fluoropyrrolidine-2-carboxylic acid

Structural Information

Molecular Formula
C5H8FNO2
SMILES
C1C(CNC1C(=O)O)F
InChI
InChI=1S/C5H8FNO2/c6-3-1-4(5(8)9)7-2-3/h3-4,7H,1-2H2,(H,8,9)
InChIKey
ZIWHMENIDGOELV-UHFFFAOYSA-N
Compound name
4-fluoropyrrolidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

14
References

2107
Patents

133.05391 Da
Monoisotopic Mass

-2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 134.06119 125.0
[M+Na]+ 156.04313 132.0
[M-H]- 132.04663 123.1
[M+NH4]+ 151.08773 145.7
[M+K]+ 172.01707 130.3
[M+H-H2O]+ 116.05117 119.0
[M+HCOO]- 178.05211 142.9
[M+CH3COO]- 192.06776 165.3
[M+Na-2H]- 154.02858 127.4
[M]+ 133.05336 118.7
[M]- 133.05446 118.7
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