CID 132351142

2137062-42-9

Structural Information

Molecular Formula
C21H20FNO4
SMILES
C[C@]1(C[C@@H](CN1C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)F)C(=O)O
InChI
InChI=1S/C21H20FNO4/c1-21(19(24)25)10-13(22)11-23(21)20(26)27-12-18-16-8-4-2-6-14(16)15-7-3-5-9-17(15)18/h2-9,13,18H,10-12H2,1H3,(H,24,25)/t13-,21-/m0/s1
InChIKey
OMBCXFRVVPAWBM-ZSEKCTLFSA-N
Compound name
(2S,4S)-1-(9H-fluoren-9-ylmethoxycarbonyl)-4-fluoro-2-methylpyrrolidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

369.13763 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.14491 187.4
[M+Na]+ 392.12685 195.1
[M-H]- 368.13035 192.4
[M+NH4]+ 387.17145 205.1
[M+K]+ 408.10079 190.1
[M+H-H2O]+ 352.13489 179.9
[M+HCOO]- 414.13583 202.7
[M+CH3COO]- 428.15148 213.1
[M+Na-2H]- 390.11230 185.4
[M]+ 369.13708 187.7
[M]- 369.13818 187.7
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.