CID 136547460

2127012-32-0

Structural Information

Molecular Formula
C23H23NO4
SMILES
C1CC2(C1)CN(CC2C(=O)O)C(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35
InChI
InChI=1S/C23H23NO4/c25-21(26)20-12-24(14-23(20)10-5-11-23)22(27)28-13-19-17-8-3-1-6-15(17)16-7-2-4-9-18(16)19/h1-4,6-9,19-20H,5,10-14H2,(H,25,26)
InChIKey
CVBBUCZBQNYYCK-UHFFFAOYSA-N
Compound name
6-(9H-fluoren-9-ylmethoxycarbonyl)-6-azaspiro[3.4]octane-8-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

377.16272 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.17000 188.9
[M+Na]+ 400.15194 193.1
[M-H]- 376.15544 196.5
[M+NH4]+ 395.19654 199.6
[M+K]+ 416.12588 191.2
[M+H-H2O]+ 360.15998 177.1
[M+HCOO]- 422.16092 202.7
[M+CH3COO]- 436.17657 197.5
[M+Na-2H]- 398.13739 186.8
[M]+ 377.16217 196.6
[M]- 377.16327 196.6
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.