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 184.5
[M+Na]+ 372.12062 189.2
[M-H]- 348.12412 188.6
[M+NH4]+ 367.16522 201.3
[M+K]+ 388.09456 187.8
[M+H-H2O]+ 332.12866 175.9
[M+HCOO]- 394.12960 196.6
[M+CH3COO]- 408.14525 193.5
[M+Na-2H]- 370.10607 185.5
[M]+ 349.13085 198.8
[M]- 349.13195 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.