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 184.2
[M+Na]+ 374.13628 190.7
[M-H]- 350.13978 190.3
[M+NH4]+ 369.18088 200.6
[M+K]+ 390.11022 186.2
[M+H-H2O]+ 334.14432 177.4
[M+HCOO]- 396.14526 200.6
[M+CH3COO]- 410.16091 211.1
[M+Na-2H]- 372.12173 181.7
[M]+ 351.14651 185.1
[M]- 351.14761 185.1
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.