CID 45024431

1076197-00-6

Structural Information

Molecular Formula

C₂₀H₂₁NO₄

SMILES

CC(C)(CNC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13)C(=O)O

InChI

InChI=1S/C20H21NO4/c1-20(2,18(22)23)12-21-19(24)25-11-17-15-9-5-3-7-13(15)14-8-4-6-10-16(14)17/h3-10,17H,11-12H2,1-2H3,(H,21,24)(H,22,23)

InChIKey

YQSADVVFFDZPHI-UHFFFAOYSA-N

Compound name

3-(9H-fluoren-9-ylmethoxycarbonylamino)-2,2-dimethylpropanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 44
Patents: 339.14706 Da
Monoisotopic Mass: 3.5
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]+	340.154336	180.7
[M+Na]+	362.136278	186.3
[M-H]-	338.139784	184.5
[M+NH4]+	357.180883	196.9
[M+K]+	378.110218	182.7
[M+H-H2O]+	322.144320	174.5
[M+HCOO]-	384.145261	198.9
[M+CH3COO]-	398.160911	211.6
[M+Na-2H]-	360.121726	184.3
[M]+	339.14651142	183.4
[M]-	339.14760858	183.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe