CID 155895009

2137457-31-7

Structural Information

Molecular Formula

C₂₂H₂₁NO₄

SMILES

C1CC2(C1)CN(C2C(=O)O)C(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35

InChI

InChI=1S/C22H21NO4/c24-20(25)19-22(10-5-11-22)13-23(19)21(26)27-12-18-16-8-3-1-6-14(16)15-7-2-4-9-17(15)18/h1-4,6-9,18-19H,5,10-13H2,(H,24,25)

InChIKey

UQLWTQKPUCZRSU-UHFFFAOYSA-N

Compound name

2-(9H-fluoren-9-ylmethoxycarbonyl)-2-azaspiro[3.3]heptane-3-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 363.14706 Da
Monoisotopic Mass: 3.8
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]+	364.154336	178.8
[M+Na]+	386.136278	182.3
[M-H]-	362.139784	185.6
[M+NH4]+	381.180883	181.8
[M+K]+	402.110218	183.9
[M+H-H2O]+	346.144320	162.5
[M+HCOO]-	408.145261	191.0
[M+CH3COO]-	422.160911	221.4
[M+Na-2H]-	384.121726	179.1
[M]+	363.14651142	195.2
[M]-	363.14760858	195.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.