CID 96218579

2749855-76-1

Structural Information

Molecular Formula
C5H8FNO2
SMILES
C1[C@H]([C@@H](CN1)F)C(=O)O
InChI
InChI=1S/C5H8FNO2/c6-4-2-7-1-3(4)5(8)9/h3-4,7H,1-2H2,(H,8,9)/t3-,4-/m1/s1
InChIKey
XTSQVEUVLPTXAG-QWWZWVQMSA-N
Compound name
(3S,4S)-4-fluoropyrrolidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

133.05391 Da
Monoisotopic Mass

-2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 134.061186 125.0
[M+Na]+ 156.043128 132.0
[M-H]- 132.046634 123.1
[M+NH4]+ 151.087733 145.7
[M+K]+ 172.017068 130.3
[M+H-H2O]+ 116.051170 119.0
[M+HCOO]- 178.052111 142.9
[M+CH3COO]- 192.067761 165.3
[M+Na-2H]- 154.028576 127.4
[M]+ 133.05336142 118.7
[M]- 133.05445858 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

No patent data available for this compound.