CID 16109477

1171482-06-6

Structural Information

Molecular Formula

C₁₂H₁₇NO₂

SMILES

CC1(CC2=C(O1)C(=CC=C2)OCCN)C

InChI

InChI=1S/C12H17NO2/c1-12(2)8-9-4-3-5-10(11(9)15-12)14-7-6-13/h3-5H,6-8,13H2,1-2H3

InChIKey

SZPVIOGPECKSPN-UHFFFAOYSA-N

Compound name

2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 38
Patents: 207.12593 Da
Monoisotopic Mass: 1.8
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]+	208.133206	145.2
[M+Na]+	230.115148	153.7
[M-H]-	206.118654	150.1
[M+NH4]+	225.159753	167.6
[M+K]+	246.089088	152.2
[M+H-H2O]+	190.123190	140.2
[M+HCOO]-	252.124131	167.9
[M+CH3COO]-	266.139781	188.1
[M+Na-2H]-	228.100596	151.6
[M]+	207.12538142	147.1
[M]-	207.12647858	147.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe