CID 21634

Diethylamine, n-o-tolyloxyethyl-, hydrochloride

Structural Information

Molecular Formula

C₁₃H₂₁NO

SMILES

CCN(CC)CCOC1=CC=CC=C1C

InChI

InChI=1S/C13H21NO/c1-4-14(5-2)10-11-15-13-9-7-6-8-12(13)3/h6-9H,4-5,10-11H2,1-3H3

InChIKey

ISAROBGGCCJPID-UHFFFAOYSA-N

Compound name

N,N-diethyl-2-(2-methylphenoxy)ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 207.16231 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]+	208.16959	149.5
[M+Na]+	230.15153	155.4
[M-H]-	206.15503	154.1
[M+NH4]+	225.19613	169.1
[M+K]+	246.12547	154.4
[M+H-H2O]+	190.15957	142.6
[M+HCOO]-	252.16051	174.5
[M+CH3COO]-	266.17616	194.9
[M+Na-2H]-	228.13698	154.4
[M]+	207.16176	153.2
[M]-	207.16286	153.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe