CID 4052263

6,7-dimethoxy-1-methylnaphthalene

Structural Information

Molecular Formula

C₁₃H₁₄O₂

SMILES

CC1=C2C=C(C(=CC2=CC=C1)OC)OC

InChI

InChI=1S/C13H14O2/c1-9-5-4-6-10-7-12(14-2)13(15-3)8-11(9)10/h4-8H,1-3H3

InChIKey

XKNDQNYCLSMQKA-UHFFFAOYSA-N

Compound name

6,7-dimethoxy-1-methylnaphthalene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 15
Patents: 202.09938 Da
Monoisotopic Mass: 3.5
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]+	203.10666	142.0
[M+Na]+	225.08860	157.6
[M+NH4]+	220.13320	152.0
[M+K]+	241.06254	149.6
[M-H]-	201.09210	145.8
[M+Na-2H]-	223.07405	150.0
[M]+	202.09883	145.6
[M]-	202.09993	145.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe