CID 19361801

225240-57-3

Structural Information

Molecular Formula

C₂₂H₂₃NO₄

SMILES

CC1(CCN(CC1)C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)C(=O)O

InChI

InChI=1S/C22H23NO4/c1-22(20(24)25)10-12-23(13-11-22)21(26)27-14-19-17-8-4-2-6-15(17)16-7-3-5-9-18(16)19/h2-9,19H,10-14H2,1H3,(H,24,25)

InChIKey

NVLVYKWFJWQKMG-UHFFFAOYSA-N

Compound name

1-(9H-fluoren-9-ylmethoxycarbonyl)-4-methylpiperidine-4-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 365.16272 Da
Monoisotopic Mass: 3.6
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	188.3
[M+Na]+	388.151938	193.7
[M-H]-	364.155444	193.3
[M+NH4]+	383.196543	203.8
[M+K]+	404.125878	189.0
[M+H-H2O]+	348.159980	179.9
[M+HCOO]-	410.160921	202.0
[M+CH3COO]-	424.176571	197.1
[M+Na-2H]-	386.137386	188.7
[M]+	365.16217142	187.0
[M]-	365.16326858	187.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe