CID 10209

Menadiol

Structural Information

Molecular Formula

C₁₁H₁₀O₂

SMILES

CC1=C(C2=CC=CC=C2C(=C1)O)O

InChI

InChI=1S/C11H10O2/c1-7-6-10(12)8-4-2-3-5-9(8)11(7)13/h2-6,12-13H,1H3

InChIKey

ZJTLZYDQJHKRMQ-UHFFFAOYSA-N

Compound name

2-methylnaphthalene-1,4-diol

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 124
References: 3462
Patents: 174.06808 Da
Monoisotopic Mass: 2.8
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]+	175.07536	133.5
[M+Na]+	197.05730	143.4
[M-H]-	173.06080	136.4
[M+NH4]+	192.10190	154.2
[M+K]+	213.03124	139.6
[M+H-H2O]+	157.06534	128.6
[M+HCOO]-	219.06628	154.8
[M+CH3COO]-	233.08193	177.1
[M+Na-2H]-	195.04275	141.0
[M]+	174.06753	133.3
[M]-	174.06863	133.3

Literature stripe

literature stripe

Patent stripe

patents stripe