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

2
Annotation Hits: 0
References: 425
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]+	199.11174	144.4
[M+Na]+	221.09368	159.5
[M+NH4]+	216.13828	154.1
[M+K]+	237.06762	151.5
[M-H]-	197.09718	149.5
[M+Na-2H]-	219.07913	154.6
[M]+	198.10391	148.2
[M]-	198.10501	148.2

Literature stripe

literature stripe

Patent stripe

patents stripe