CID 121207562

2098113-94-9

Structural Information

Molecular Formula
C23H23NO4
SMILES
C1CC2(C1)CC(C2)(C(=O)O)NC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35
InChI
InChI=1S/C23H23NO4/c25-20(26)23(13-22(14-23)10-5-11-22)24-21(27)28-12-19-17-8-3-1-6-15(17)16-7-2-4-9-18(16)19/h1-4,6-9,19H,5,10-14H2,(H,24,27)(H,25,26)
InChIKey
YRIQRDGQHSNWHD-UHFFFAOYSA-N
Compound name
2-(9H-fluoren-9-ylmethoxycarbonylamino)spiro[3.3]heptane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

377.16272 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.17000 187.2
[M+Na]+ 400.15194 189.5
[M-H]- 376.15544 194.9
[M+NH4]+ 395.19654 192.0
[M+K]+ 416.12588 191.0
[M+H-H2O]+ 360.15998 171.5
[M+HCOO]- 422.16092 200.8
[M+CH3COO]- 436.17657 224.7
[M+Na-2H]- 398.13739 188.6
[M]+ 377.16217 202.7
[M]- 377.16327 202.7
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.