CID 983042

(2s)-1-[(9h-fluoren-9-ylmethoxy)carbonyl]piperidine-2-carboxylic acid

Structural Information

Molecular Formula
C21H21NO4
SMILES
C1CCN([C@@H](C1)C(=O)O)C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChI
InChI=1S/C21H21NO4/c23-20(24)19-11-5-6-12-22(19)21(25)26-13-18-16-9-3-1-7-14(16)15-8-2-4-10-17(15)18/h1-4,7-10,18-19H,5-6,11-13H2,(H,23,24)/t19-/m0/s1
InChIKey
CKLAZLINARHOTG-IBGZPJMESA-N
Compound name
(2S)-1-(9H-fluoren-9-ylmethoxycarbonyl)piperidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

378
Patents

351.14706 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.15434 182.5
[M+Na]+ 374.13628 187.2
[M-H]- 350.13978 187.4
[M+NH4]+ 369.18088 196.5
[M+K]+ 390.11022 182.6
[M+H-H2O]+ 334.14432 174.1
[M+HCOO]- 396.14526 196.6
[M+CH3COO]- 410.16091 191.3
[M+Na-2H]- 372.12173 182.4
[M]+ 351.14651 180.6
[M]- 351.14761 180.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe