CID 9015

4-methoxyphenol

Structural Information

Molecular Formula

C₇H₈O₂

SMILES

COC1=CC=C(C=C1)O

InChI

InChI=1S/C7H8O2/c1-9-7-4-2-6(8)3-5-7/h2-5,8H,1H3

InChIKey

NWVVVBRKAWDGAB-UHFFFAOYSA-N

Compound name

4-methoxyphenol

Related CIDs

2D Structure

compound 2d structure

8
Annotation Hits: 269
References: 103871
Patents: 124.05243 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]+	125.059706	120.9
[M+Na]+	147.041648	129.7
[M-H]-	123.045154	123.8
[M+NH4]+	142.086253	142.8
[M+K]+	163.015588	128.5
[M+H-H2O]+	107.049690	116.1
[M+HCOO]-	169.050631	145.2
[M+CH3COO]-	183.066281	167.7
[M+Na-2H]-	145.027096	129.1
[M]+	124.05188142	121.5
[M]-	124.05297858	121.5

Literature stripe

literature stripe

Patent stripe

patents stripe