CID 89573

Di-m-tolyl ether

Structural Information

Molecular Formula

C₁₄H₁₄O

SMILES

CC1=CC(=CC=C1)OC2=CC=CC(=C2)C

InChI

InChI=1S/C14H14O/c1-11-5-3-7-13(9-11)15-14-8-4-6-12(2)10-14/h3-10H,1-2H3

InChIKey

FDLFMPKQBNPIER-UHFFFAOYSA-N

Compound name

1-methyl-3-(3-methylphenoxy)benzene

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 2981
Patents: 198.10446 Da
Monoisotopic Mass: 4.6
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]+	199.111736	142.1
[M+Na]+	221.093678	150.7
[M-H]-	197.097184	149.4
[M+NH4]+	216.138283	161.7
[M+K]+	237.067618	147.5
[M+H-H2O]+	181.101720	135.3
[M+HCOO]-	243.102661	166.9
[M+CH3COO]-	257.118311	186.4
[M+Na-2H]-	219.079126	149.0
[M]+	198.10391142	143.5
[M]-	198.10500858	143.5

Literature stripe

literature stripe

Patent stripe

patents stripe