CID 139022376

2137787-86-9

Structural Information

Molecular Formula
C21H19NO4
SMILES
C1C2C1N(CC2C(=O)O)C(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35
InChI
InChI=1S/C21H19NO4/c23-20(24)17-10-22(19-9-16(17)19)21(25)26-11-18-14-7-3-1-5-12(14)13-6-2-4-8-15(13)18/h1-8,16-19H,9-11H2,(H,23,24)
InChIKey
ASRYHUYFNSHKKU-UHFFFAOYSA-N
Compound name
2-(9H-fluoren-9-ylmethoxycarbonyl)-2-azabicyclo[3.1.0]hexane-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

349.1314 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.13868 180.9
[M+Na]+ 372.12062 190.2
[M-H]- 348.12412 188.2
[M+NH4]+ 367.16522 193.6
[M+K]+ 388.09456 183.5
[M+H-H2O]+ 332.12866 175.3
[M+HCOO]- 394.12960 196.7
[M+CH3COO]- 408.14525 190.9
[M+Na-2H]- 370.10607 180.2
[M]+ 349.13085 185.4
[M]- 349.13195 185.4
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.