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]+ 350.138676 181.8
[M+Na]+ 372.120618 185.9
[M-H]- 348.124124 185.9
[M+NH4]+ 367.165223 196.9
[M+K]+ 388.094558 185.2
[M+H-H2O]+ 332.128660 173.4
[M+HCOO]- 394.129601 193.9
[M+CH3COO]- 408.145251 190.7
[M+Na-2H]- 370.106066 181.4
[M]+ 349.13085142 196.1
[M]- 349.13194858 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.