CID 2756109

(2s,4r)-1-[(9h-fluoren-9-ylmethoxy)carbonyl]-4-hydroxypyrrolidine-2-carboxylic acid

Structural Information

Molecular Formula
C20H19NO5
SMILES
C1[C@H](CN([C@@H]1C(=O)O)C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)O
InChI
InChI=1S/C20H19NO5/c22-12-9-18(19(23)24)21(10-12)20(25)26-11-17-15-7-3-1-5-13(15)14-6-2-4-8-16(14)17/h1-8,12,17-18,22H,9-11H2,(H,23,24)/t12-,18+/m1/s1
InChIKey
GOUUPUICWUFXPM-XIKOKIGWSA-N
Compound name
(2S,4R)-1-(9H-fluoren-9-ylmethoxycarbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

583
Patents

353.1263 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.13358 181.8
[M+Na]+ 376.11552 188.0
[M-H]- 352.11902 186.7
[M+NH4]+ 371.16012 197.3
[M+K]+ 392.08946 183.8
[M+H-H2O]+ 336.12356 175.4
[M+HCOO]- 398.12450 197.2
[M+CH3COO]- 412.14015 208.1
[M+Na-2H]- 374.10097 179.8
[M]+ 353.12575 182.1
[M]- 353.12685 182.1
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

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