CID 170858

50563-55-8

Structural Information

Molecular Formula

C₁₁H₁₇NO

SMILES

CC1=C(C(=CC=C1)C)NCCOC

InChI

InChI=1S/C11H17NO/c1-9-5-4-6-10(2)11(9)12-7-8-13-3/h4-6,12H,7-8H2,1-3H3

InChIKey

OTKGPBKVICJCOU-UHFFFAOYSA-N

Compound name

N-(2-methoxyethyl)-2,6-dimethylaniline

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 13
Patents: 179.13101 Da
Monoisotopic Mass: 2.5
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]+	180.13829	139.6
[M+Na]+	202.12023	147.2
[M-H]-	178.12373	143.5
[M+NH4]+	197.16483	160.1
[M+K]+	218.09417	145.4
[M+H-H2O]+	162.12827	133.7
[M+HCOO]-	224.12921	164.8
[M+CH3COO]-	238.14486	186.5
[M+Na-2H]-	200.10568	145.7
[M]+	179.13046	141.8
[M]-	179.13156	141.8

Literature stripe

literature stripe

Patent stripe

patents stripe