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]+ 352.154336 184.2
[M+Na]+ 374.136278 190.7
[M-H]- 350.139784 190.3
[M+NH4]+ 369.180883 200.6
[M+K]+ 390.110218 186.2
[M+H-H2O]+ 334.144320 177.4
[M+HCOO]- 396.145261 200.6
[M+CH3COO]- 410.160911 211.1
[M+Na-2H]- 372.121726 181.7
[M]+ 351.14651142 185.1
[M]- 351.14760858 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.