CID 96664466

1690085-29-0

Structural Information

Molecular Formula
C21H21NO4
SMILES
C[C@@H]1CN(C[C@H]1C(=O)O)C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChI
InChI=1S/C21H21NO4/c1-13-10-22(11-18(13)20(23)24)21(25)26-12-19-16-8-4-2-6-14(16)15-7-3-5-9-17(15)19/h2-9,13,18-19H,10-12H2,1H3,(H,23,24)/t13-,18-/m1/s1
InChIKey
UZAANVFMPWVILR-FZKQIMNGSA-N
Compound name
(3S,4S)-1-(9H-fluoren-9-ylmethoxycarbonyl)-4-methylpyrrolidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

351.14706 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.15434 183.2
[M+Na]+ 374.13628 193.8
[M+NH4]+ 369.18088 190.3
[M+K]+ 390.11022 191.6
[M-H]- 350.13978 185.2
[M+Na-2H]- 372.12173 185.7
[M]+ 351.14651 185.0
[M]- 351.14761 185.0
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.