CID 56972041

Rel-1-(9h-fluoren-9-ylmethyl) (2r,3r)-2-methyl-1,3-piperidinedicarboxylate

Structural Information

Molecular Formula
C22H23NO4
SMILES
C[C@H]1[C@H](CCCN1C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)C(=O)O
InChI
InChI=1S/C22H23NO4/c1-14-15(21(24)25)11-6-12-23(14)22(26)27-13-20-18-9-4-2-7-16(18)17-8-3-5-10-19(17)20/h2-5,7-10,14-15,20H,6,11-13H2,1H3,(H,24,25)/t14-,15-/m0/s1
InChIKey
NRSJXNCIMCCZPV-GJZGRUSLSA-N
Compound name
(2S,3S)-1-(9H-fluoren-9-ylmethoxycarbonyl)-2-methylpiperidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

365.16272 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.17000 187.3
[M+Na]+ 388.15194 192.5
[M-H]- 364.15544 192.4
[M+NH4]+ 383.19654 201.1
[M+K]+ 404.12588 187.7
[M+H-H2O]+ 348.15998 179.0
[M+HCOO]- 410.16092 201.0
[M+CH3COO]- 424.17657 214.5
[M+Na-2H]- 386.13739 186.0
[M]+ 365.16217 186.1
[M]- 365.16327 186.1
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.