CID 570675

21945-66-4

Structural Information

Molecular Formula

C₁₄H₁₄O

SMILES

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

InChI

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

InChIKey

OIBXYJGRPCDUBE-UHFFFAOYSA-N

Compound name

(3-methylphenyl)-phenylmethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 48
Patents: 198.10446 Da
Monoisotopic Mass: 3.0
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	150.2
[M-H]-	197.09718	148.8
[M+NH4]+	216.13828	161.7
[M+K]+	237.06762	146.5
[M+H-H2O]+	181.10172	136.7
[M+HCOO]-	243.10266	165.5
[M+CH3COO]-	257.11831	183.5
[M+Na-2H]-	219.07913	149.1
[M]+	198.10391	141.7
[M]-	198.10501	141.7

Literature stripe

literature stripe

Patent stripe

patents stripe