CID 978354

2-(1-(((9h-fluoren-9-yl)methoxy)carbonyl)piperidin-4-yl)acetic acid

Structural Information

Molecular Formula
C22H23NO4
SMILES
C1CN(CCC1CC(=O)O)C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChI
InChI=1S/C22H23NO4/c24-21(25)13-15-9-11-23(12-10-15)22(26)27-14-20-18-7-3-1-5-16(18)17-6-2-4-8-19(17)20/h1-8,15,20H,9-14H2,(H,24,25)
InChIKey
CQAGUAUKAZHOSU-UHFFFAOYSA-N
Compound name
2-[1-(9H-fluoren-9-ylmethoxycarbonyl)piperidin-4-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

111
Patents

365.16272 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.17000 187.1
[M+Na]+ 388.15194 191.3
[M-H]- 364.15544 191.7
[M+NH4]+ 383.19654 200.5
[M+K]+ 404.12588 186.4
[M+H-H2O]+ 348.15998 178.4
[M+HCOO]- 410.16092 200.8
[M+CH3COO]- 424.17657 213.2
[M+Na-2H]- 386.13739 186.4
[M]+ 365.16217 185.4
[M]- 365.16327 185.4
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

patents stripe