CID 77456481

1695292-51-3

Structural Information

Molecular Formula

C₂₁H₂₁NO₄

SMILES

C1CC(C1)C(C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24

InChI

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

InChIKey

TXLUWFPQLXODBP-UHFFFAOYSA-N

Compound name

2-cyclobutyl-2-(9H-fluoren-9-ylmethoxycarbonylamino)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 26
Patents: 351.14706 Da
Monoisotopic Mass: 4.0
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	182.1
[M+Na]+	374.136278	184.1
[M-H]-	350.139784	188.1
[M+NH4]+	369.180883	190.5
[M+K]+	390.110218	184.0
[M+H-H2O]+	334.144320	169.1
[M+HCOO]-	396.145261	198.4
[M+CH3COO]-	410.160911	215.9
[M+Na-2H]-	372.121726	182.1
[M]+	351.14651142	190.3
[M]-	351.14760858	190.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe