CID 233146

Tte 10

Structural Information

Molecular Formula

C₁₄H₂₃NO

SMILES

CCN(CC)CCOC1=C(C=CC=C1C)C

InChI

InChI=1S/C14H23NO/c1-5-15(6-2)10-11-16-14-12(3)8-7-9-13(14)4/h7-9H,5-6,10-11H2,1-4H3

InChIKey

CUPDSRNSEOOMSW-UHFFFAOYSA-N

Compound name

2-(2,6-dimethylphenoxy)-N,N-diethylethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 221.17796 Da
Monoisotopic Mass: 3.4
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]+	222.18524	153.4
[M+Na]+	244.16718	165.6
[M+NH4]+	239.21178	162.0
[M+K]+	260.14112	158.1
[M-H]-	220.17068	156.8
[M+Na-2H]-	242.15263	159.9
[M]+	221.17741	156.1
[M]-	221.17851	156.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe