CID 53218770

2-methyl-4-(2-methylphenyl)phenol

Structural Information

Molecular Formula

C₁₄H₁₄O

SMILES

CC1=CC=CC=C1C2=CC(=C(C=C2)O)C

InChI

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

InChIKey

YAIFKUYPOJMOFS-UHFFFAOYSA-N

Compound name

2-methyl-4-(2-methylphenyl)phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 198.10446 Da
Monoisotopic Mass: 3.9
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	142.2
[M+Na]+	221.093678	151.3
[M-H]-	197.097184	148.4
[M+NH4]+	216.138283	161.4
[M+K]+	237.067618	147.2
[M+H-H2O]+	181.101720	135.9
[M+HCOO]-	243.102661	165.4
[M+CH3COO]-	257.118311	184.9
[M+Na-2H]-	219.079126	147.8
[M]+	198.10391142	142.1
[M]-	198.10500858	142.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe