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]+ 350.138676 184.5
[M+Na]+ 372.120618 189.2
[M-H]- 348.124124 188.6
[M+NH4]+ 367.165223 201.3
[M+K]+ 388.094558 187.8
[M+H-H2O]+ 332.128660 175.9
[M+HCOO]- 394.129601 196.6
[M+CH3COO]- 408.145251 193.5
[M+Na-2H]- 370.106066 185.5
[M]+ 349.13085142 198.8
[M]- 349.13194858 198.8
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.