CID 45707

2-(monoisobutyl)ethyl 9-fluorenecarboxylate hydrochloride

Structural Information

Molecular Formula

C₂₀H₂₃NO₂

SMILES

CCC(C)NCCOC(=O)C1C2=CC=CC=C2C3=CC=CC=C13

InChI

InChI=1S/C20H23NO2/c1-3-14(2)21-12-13-23-20(22)19-17-10-6-4-8-15(17)16-9-5-7-11-18(16)19/h4-11,14,19,21H,3,12-13H2,1-2H3

InChIKey

TVOCDNGFORMKEG-UHFFFAOYSA-N

Compound name

2-(butan-2-ylamino)ethyl 9H-fluorene-9-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 309.17288 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]+	310.180156	175.9
[M+Na]+	332.162098	181.6
[M-H]-	308.165604	180.7
[M+NH4]+	327.206703	194.2
[M+K]+	348.136038	177.2
[M+H-H2O]+	292.170140	168.7
[M+HCOO]-	354.171081	196.7
[M+CH3COO]-	368.186731	210.7
[M+Na-2H]-	330.147546	178.4
[M]+	309.17233142	178.7
[M]-	309.17342858	178.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.