CID 155895009

2137457-31-7

Structural Information

Molecular Formula
C22H21NO4
SMILES
C1CC2(C1)CN(C2C(=O)O)C(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35
InChI
InChI=1S/C22H21NO4/c24-20(25)19-22(10-5-11-22)13-23(19)21(26)27-12-18-16-8-3-1-6-14(16)15-7-2-4-9-17(15)18/h1-4,6-9,18-19H,5,10-13H2,(H,24,25)
InChIKey
UQLWTQKPUCZRSU-UHFFFAOYSA-N
Compound name
2-(9H-fluoren-9-ylmethoxycarbonyl)-2-azaspiro[3.3]heptane-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

363.14706 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.15434 178.8
[M+Na]+ 386.13628 182.3
[M-H]- 362.13978 185.6
[M+NH4]+ 381.18088 181.8
[M+K]+ 402.11022 183.9
[M+H-H2O]+ 346.14432 162.5
[M+HCOO]- 408.14526 191.0
[M+CH3COO]- 422.16091 221.4
[M+Na-2H]- 384.12173 179.1
[M]+ 363.14651 195.2
[M]- 363.14761 195.2
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.