CID 139026894

2361608-65-1

Structural Information

Molecular Formula
C21H20FNO4
SMILES
C1C[C@H](N(C[C@@H]1F)C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)C(=O)O
InChI
InChI=1S/C21H20FNO4/c22-13-9-10-19(20(24)25)23(11-13)21(26)27-12-18-16-7-3-1-5-14(16)15-6-2-4-8-17(15)18/h1-8,13,18-19H,9-12H2,(H,24,25)/t13-,19+/m1/s1
InChIKey
AUQPWZCUOUNEAQ-YJYMSZOUSA-N
Compound name
(2S,5R)-1-(9H-fluoren-9-ylmethoxycarbonyl)-5-fluoropiperidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

369.13763 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.144906 186.0
[M+Na]+ 392.126848 191.6
[M-H]- 368.130354 189.8
[M+NH4]+ 387.171453 199.5
[M+K]+ 408.100788 186.5
[M+H-H2O]+ 352.134890 176.8
[M+HCOO]- 414.135831 198.9
[M+CH3COO]- 428.151481 214.2
[M+Na-2H]- 390.112296 184.6
[M]+ 369.13708142 183.4
[M]- 369.13817858 183.4
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.