CID 131206217

1-{[(9h-fluoren-9-yl)methoxy]carbonyl}-3-hydroxypiperidine-3-carboxylic acid

Structural Information

Molecular Formula
C21H21NO5
SMILES
C1CC(CN(C1)C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)(C(=O)O)O
InChI
InChI=1S/C21H21NO5/c23-19(24)21(26)10-5-11-22(13-21)20(25)27-12-18-16-8-3-1-6-14(16)15-7-2-4-9-17(15)18/h1-4,6-9,18,26H,5,10-13H2,(H,23,24)
InChIKey
SITJORSMOALLHK-UHFFFAOYSA-N
Compound name
1-(9H-fluoren-9-ylmethoxycarbonyl)-3-hydroxypiperidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

367.14197 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.14925 186.2
[M+Na]+ 390.13119 191.5
[M-H]- 366.13469 190.1
[M+NH4]+ 385.17579 200.9
[M+K]+ 406.10513 187.0
[M+H-H2O]+ 350.13923 178.3
[M+HCOO]- 412.14017 198.9
[M+CH3COO]- 426.15582 209.8
[M+Na-2H]- 388.11664 187.2
[M]+ 367.14142 184.4
[M]- 367.14252 184.4
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.