CID 121604471

1936396-62-1

Structural Information

Molecular Formula
C21H19NO4
SMILES
C1C2CC1(N(C2)C(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35)C(=O)O
InChI
InChI=1S/C21H19NO4/c23-19(24)21-9-13(10-21)11-22(21)20(25)26-12-18-16-7-3-1-5-14(16)15-6-2-4-8-17(15)18/h1-8,13,18H,9-12H2,(H,23,24)
InChIKey
JMVXIHLJJFHMKW-UHFFFAOYSA-N
Compound name
2-(9H-fluoren-9-ylmethoxycarbonyl)-2-azabicyclo[2.1.1]hexane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

349.1314 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.13868 174.8
[M+Na]+ 372.12062 179.4
[M+NH4]+ 367.16522 181.0
[M+K]+ 388.09456 179.2
[M-H]- 348.12412 171.4
[M+Na-2H]- 370.10607 171.5
[M]+ 349.13085 173.2
[M]- 349.13195 173.2
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.