CID 132350913

2138525-93-4

Structural Information

Molecular Formula
C22H21NO4
SMILES
C1CC12CN(CC2C(=O)O)C(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35
InChI
InChI=1S/C22H21NO4/c24-20(25)19-11-23(13-22(19)9-10-22)21(26)27-12-18-16-7-3-1-5-14(16)15-6-2-4-8-17(15)18/h1-8,18-19H,9-13H2,(H,24,25)
InChIKey
DCZSWDJOGUHIQB-UHFFFAOYSA-N
Compound name
5-(9H-fluoren-9-ylmethoxycarbonyl)-5-azaspiro[2.4]heptane-7-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

363.14706 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.154336 186.4
[M+Na]+ 386.136278 195.0
[M-H]- 362.139784 194.7
[M+NH4]+ 381.180883 199.5
[M+K]+ 402.110218 189.2
[M+H-H2O]+ 346.144320 180.5
[M+HCOO]- 408.145261 201.9
[M+CH3COO]- 422.160911 196.0
[M+Na-2H]- 384.121726 185.7
[M]+ 363.14651142 189.4
[M]- 363.14760858 189.4
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.