CID 104342

Benzyl-p-cresol

Structural Information

Molecular Formula

C₁₄H₁₄O

SMILES

CC1=CC(=C(C=C1)O)CC2=CC=CC=C2

InChI

InChI=1S/C14H14O/c1-11-7-8-14(15)13(9-11)10-12-5-3-2-4-6-12/h2-9,15H,10H2,1H3

InChIKey

WGIJGSLQJSMKAH-UHFFFAOYSA-N

Compound name

2-benzyl-4-methylphenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 97
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	142.7
[M+Na]+	221.093678	150.9
[M-H]-	197.097184	148.5
[M+NH4]+	216.138283	161.6
[M+K]+	237.067618	146.7
[M+H-H2O]+	181.101720	136.2
[M+HCOO]-	243.102661	165.9
[M+CH3COO]-	257.118311	183.7
[M+Na-2H]-	219.079126	149.0
[M]+	198.10391142	142.2
[M]-	198.10500858	142.2

Literature stripe

literature stripe

Patent stripe

patents stripe