CID 154699601

Ns00117357

Structural Information

Molecular Formula

C₁₆H₂₁NO₂

SMILES

CC(C)(C)NCC(C1=CC2=C(O1)C(=CC=C2)C=C)O

InChI

InChI=1S/C16H21NO2/c1-5-11-7-6-8-12-9-14(19-15(11)12)13(18)10-17-16(2,3)4/h5-9,13,17-18H,1,10H2,2-4H3

InChIKey

FVNDVONSLMNGES-UHFFFAOYSA-N

Compound name

2-(tert-butylamino)-1-(7-ethenyl-1-benzofuran-2-yl)ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 259.15723 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]+	260.164506	162.5
[M+Na]+	282.146448	170.3
[M-H]-	258.149954	166.8
[M+NH4]+	277.191053	180.5
[M+K]+	298.120388	167.3
[M+H-H2O]+	242.154490	157.1
[M+HCOO]-	304.155431	183.4
[M+CH3COO]-	318.171081	198.0
[M+Na-2H]-	280.131896	167.6
[M]+	259.15668142	165.7
[M]-	259.15777858	165.7

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.