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 181.6
[M+Na]+ 372.12062 189.4
[M-H]- 348.12412 189.5
[M+NH4]+ 367.16522 187.6
[M+K]+ 388.09456 187.1
[M+H-H2O]+ 332.12866 170.3
[M+HCOO]- 394.12960 196.5
[M+CH3COO]- 408.14525 190.9
[M+Na-2H]- 370.10607 183.1
[M]+ 349.13085 193.7
[M]- 349.13195 193.7
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.