CID 132351141

2138240-30-7

Structural Information

Molecular Formula
C21H19NO4
SMILES
C1[C@H]2[C@]1(CN(C2)C(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35)C(=O)O
InChI
InChI=1S/C21H19NO4/c23-19(24)21-9-13(21)10-22(12-21)20(25)26-11-18-16-7-3-1-5-14(16)15-6-2-4-8-17(15)18/h1-8,13,18H,9-12H2,(H,23,24)/t13-,21+/m1/s1
InChIKey
BYDTZRWAEAVMFE-ASSNKEHSSA-N
Compound name
(1R,5S)-3-(9H-fluoren-9-ylmethoxycarbonyl)-3-azabicyclo[3.1.0]hexane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

349.1314 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.13868 185.1
[M+Na]+ 372.12062 197.8
[M+NH4]+ 367.16522 195.1
[M+K]+ 388.09456 194.1
[M-H]- 348.12412 194.5
[M+Na-2H]- 370.10607 191.3
[M]+ 349.13085 190.8
[M]- 349.13195 190.8
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.