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]+ 350.138676 181.6
[M+Na]+ 372.120618 189.4
[M-H]- 348.124124 189.5
[M+NH4]+ 367.165223 187.6
[M+K]+ 388.094558 187.1
[M+H-H2O]+ 332.128660 170.3
[M+HCOO]- 394.129601 196.5
[M+CH3COO]- 408.145251 190.9
[M+Na-2H]- 370.106066 183.1
[M]+ 349.13085142 193.7
[M]- 349.13194858 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.