CID 103971

51801-69-5

Structural Information

Molecular Formula

C₁₄H₁₄O

SMILES

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

InChI

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

InChIKey

DBKWISXILXVKEW-UHFFFAOYSA-N

Compound name

1-methyl-3-(4-methylphenoxy)benzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 594
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]+	199.11174	143.3
[M+Na]+	221.09368	159.7
[M+NH4]+	216.13828	153.5
[M+K]+	237.06762	150.8
[M-H]-	197.09718	149.2
[M+Na-2H]-	219.07913	154.3
[M]+	198.10391	147.6
[M]-	198.10501	147.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe