CID 165899034

1176024-56-8

Structural Information

Molecular Formula
C21H19NO4
SMILES
C1C2CC1N(C2C(=O)O)C(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35
InChI
InChI=1S/C21H19NO4/c23-20(24)19-12-9-13(10-12)22(19)21(25)26-11-18-16-7-3-1-5-14(16)15-6-2-4-8-17(15)18/h1-8,12-13,18-19H,9-11H2,(H,23,24)
InChIKey
VXXSJMZTYSLGNT-UHFFFAOYSA-N
Compound name
2-(9H-fluoren-9-ylmethoxycarbonyl)-2-azabicyclo[2.1.1]hexane-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

349.1314 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.13868 181.8
[M+Na]+ 372.12062 185.9
[M-H]- 348.12412 185.9
[M+NH4]+ 367.16522 196.9
[M+K]+ 388.09456 185.2
[M+H-H2O]+ 332.12866 173.4
[M+HCOO]- 394.12960 193.9
[M+CH3COO]- 408.14525 190.7
[M+Na-2H]- 370.10607 181.4
[M]+ 349.13085 196.1
[M]- 349.13195 196.1
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.