CID 14090386

3-(methoxymethyl)phenol

Structural Information

Molecular Formula

C₈H₁₀O₂

SMILES

COCC1=CC(=CC=C1)O

InChI

InChI=1S/C8H10O2/c1-10-6-7-3-2-4-8(9)5-7/h2-5,9H,6H2,1H3

InChIKey

AAVSHQOVBKPECT-UHFFFAOYSA-N

Compound name

3-(methoxymethyl)phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 89
Patents: 138.06808 Da
Monoisotopic Mass: 1.0
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]+	139.075356	125.6
[M+Na]+	161.057298	134.0
[M-H]-	137.060804	128.4
[M+NH4]+	156.101903	147.0
[M+K]+	177.031238	132.5
[M+H-H2O]+	121.065340	120.6
[M+HCOO]-	183.066281	149.5
[M+CH3COO]-	197.081931	170.8
[M+Na-2H]-	159.042746	133.3
[M]+	138.06753142	126.6
[M]-	138.06862858	126.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe