CID 130829155

1934633-43-8

Structural Information

Molecular Formula
C21H19NO4
SMILES
C1C(C12CN(C2)C(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35)C(=O)O
InChI
InChI=1S/C21H19NO4/c23-19(24)18-9-21(18)11-22(12-21)20(25)26-10-17-15-7-3-1-5-13(15)14-6-2-4-8-16(14)17/h1-8,17-18H,9-12H2,(H,23,24)
InChIKey
UDVDZQYKIXBMOY-UHFFFAOYSA-N
Compound name
5-(9H-fluoren-9-ylmethoxycarbonyl)-5-azaspiro[2.3]hexane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

349.1314 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.13868 183.6
[M+Na]+ 372.12062 192.9
[M+NH4]+ 367.16522 189.4
[M+K]+ 388.09456 189.3
[M-H]- 348.12412 190.8
[M+Na-2H]- 370.10607 188.8
[M]+ 349.13085 187.1
[M]- 349.13195 187.1
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.