CID 84520

(benzyloxy)methanol

Structural Information

Molecular Formula

C₈H₁₀O₂

SMILES

C1=CC=C(C=C1)COCO

InChI

InChI=1S/C8H10O2/c9-7-10-6-8-4-2-1-3-5-8/h1-5,9H,6-7H2

InChIKey

PETXWIMJICIQTQ-UHFFFAOYSA-N

Compound name

phenylmethoxymethanol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 5
References: 3208
Patents: 138.06808 Da
Monoisotopic Mass: 1.3
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]+	139.07536	126.6
[M+Na]+	161.05730	139.4
[M+NH4]+	156.10190	135.6
[M+K]+	177.03124	132.8
[M-H]-	137.06080	128.6
[M+Na-2H]-	159.04275	134.2
[M]+	138.06753	128.9
[M]-	138.06863	128.9

Literature stripe

literature stripe

Patent stripe

patents stripe