CID 978345

Fmoc-cycloleucine

Structural Information

Molecular Formula

C₂₁H₂₁NO₄

SMILES

C1CCC(C1)(C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24

InChI

InChI=1S/C21H21NO4/c23-19(24)21(11-5-6-12-21)22-20(25)26-13-18-16-9-3-1-7-14(16)15-8-2-4-10-17(15)18/h1-4,7-10,18H,5-6,11-13H2,(H,22,25)(H,23,24)

InChIKey

IECZEINPZOFWNU-UHFFFAOYSA-N

Compound name

1-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentane-1-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 419
Patents: 351.14706 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]+	352.154336	183.1
[M+Na]+	374.136278	188.1
[M-H]-	350.139784	190.0
[M+NH4]+	369.180883	202.0
[M+K]+	390.110218	183.7
[M+H-H2O]+	334.144320	176.7
[M+HCOO]-	396.145261	201.9
[M+CH3COO]-	410.160911	193.0
[M+Na-2H]-	372.121726	184.0
[M]+	351.14651142	182.4
[M]-	351.14760858	182.4

Literature stripe

literature stripe

Patent stripe

patents stripe