CID 95377

4-methylbenzhydrol

Structural Information

Molecular Formula

C₁₄H₁₄O

SMILES

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

InChI

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

InChIKey

IHASOVONMUHDND-UHFFFAOYSA-N

Compound name

(4-methylphenyl)-phenylmethanol

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 444
Patents: 198.10446 Da
Monoisotopic Mass: 3.1
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	143.3
[M+Na]+	221.093678	150.2
[M-H]-	197.097184	148.8
[M+NH4]+	216.138283	161.7
[M+K]+	237.067618	146.5
[M+H-H2O]+	181.101720	136.7
[M+HCOO]-	243.102661	165.5
[M+CH3COO]-	257.118311	183.5
[M+Na-2H]-	219.079126	149.1
[M]+	198.10391142	141.7
[M]-	198.10500858	141.7

Literature stripe

literature stripe

Patent stripe

patents stripe