CID 132350932

2137618-04-1

Structural Information

Molecular Formula
C22H21NO5
SMILES
C1CC2(CN(C2)C(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35)OC1C(=O)O
InChI
InChI=1S/C22H21NO5/c24-20(25)19-9-10-22(28-19)12-23(13-22)21(26)27-11-18-16-7-3-1-5-14(16)15-6-2-4-8-17(15)18/h1-8,18-19H,9-13H2,(H,24,25)
InChIKey
MHTZROFFMJXPBR-UHFFFAOYSA-N
Compound name
2-(9H-fluoren-9-ylmethoxycarbonyl)-5-oxa-2-azaspiro[3.4]octane-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

379.14197 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.14925 184.0
[M+Na]+ 402.13119 188.5
[M-H]- 378.13469 192.4
[M+NH4]+ 397.17579 193.4
[M+K]+ 418.10513 188.7
[M+H-H2O]+ 362.13923 172.8
[M+HCOO]- 424.14017 197.5
[M+CH3COO]- 438.15582 193.2
[M+Na-2H]- 400.11664 183.5
[M]+ 379.14142 193.5
[M]- 379.14252 193.5
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.