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 182.7
[M+Na]+ 372.12062 192.1
[M-H]- 348.12412 189.9
[M+NH4]+ 367.16522 197.1
[M+K]+ 388.09456 186.2
[M+H-H2O]+ 332.12866 177.2
[M+HCOO]- 394.12960 198.2
[M+CH3COO]- 408.14525 192.8
[M+Na-2H]- 370.10607 183.5
[M]+ 349.13085 187.3
[M]- 349.13195 187.3
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.