CID 4712591

683220-37-3

Structural Information

Molecular Formula

C₂₂H₂₃NO₄

SMILES

C1CCN(C(C1)CC(=O)O)C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24

InChI

InChI=1S/C22H23NO4/c24-21(25)13-15-7-5-6-12-23(15)22(26)27-14-20-18-10-3-1-8-16(18)17-9-2-4-11-19(17)20/h1-4,8-11,15,20H,5-7,12-14H2,(H,24,25)

InChIKey

YVHXTQQJFAOBCJ-UHFFFAOYSA-N

Compound name

2-[1-(9H-fluoren-9-ylmethoxycarbonyl)piperidin-2-yl]acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 32
Patents: 365.16272 Da
Monoisotopic Mass: 3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	366.169996	187.1
[M+Na]+	388.151938	191.3
[M-H]-	364.155444	191.7
[M+NH4]+	383.196543	200.5
[M+K]+	404.125878	186.4
[M+H-H2O]+	348.159980	178.4
[M+HCOO]-	410.160921	200.8
[M+CH3COO]-	424.176571	213.2
[M+Na-2H]-	386.137386	186.4
[M]+	365.16217142	185.4
[M]-	365.16326858	185.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe