CID 74341

1700-30-7

Structural Information

Molecular Formula

C₁₄H₁₄O₂

SMILES

C1=CC=C(C=C1)COC2=CC=CC(=C2)CO

InChI

InChI=1S/C14H14O2/c15-10-13-7-4-8-14(9-13)16-11-12-5-2-1-3-6-12/h1-9,15H,10-11H2

InChIKey

AFKLSWIRJUJWKY-UHFFFAOYSA-N

Compound name

(3-phenylmethoxyphenyl)methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 492
Patents: 214.09938 Da
Monoisotopic Mass: 2.9
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]+	215.106656	146.6
[M+Na]+	237.088598	153.7
[M-H]-	213.092104	151.9
[M+NH4]+	232.133203	164.3
[M+K]+	253.062538	149.9
[M+H-H2O]+	197.096640	139.5
[M+HCOO]-	259.097581	169.9
[M+CH3COO]-	273.113231	184.6
[M+Na-2H]-	235.074046	153.5
[M]+	214.09883142	147.0
[M]-	214.09992858	147.0

Literature stripe

literature stripe

Patent stripe

patents stripe