CID 79627

2,6-dimethoxynaphthalene

Structural Information

Molecular Formula
C12H12O2
SMILES
COC1=CC2=C(C=C1)C=C(C=C2)OC
InChI
InChI=1S/C12H12O2/c1-13-11-5-3-10-8-12(14-2)6-4-9(10)7-11/h3-8H,1-2H3
InChIKey
AHKDVDYNDXGFPP-UHFFFAOYSA-N
Compound name
2,6-dimethoxynaphthalene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

703
Patents

188.08372 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.090996 137.5
[M+Na]+ 211.072938 146.9
[M-H]- 187.076444 142.6
[M+NH4]+ 206.117543 158.8
[M+K]+ 227.046878 144.7
[M+H-H2O]+ 171.080980 131.5
[M+HCOO]- 233.081921 161.5
[M+CH3COO]- 247.097571 184.1
[M+Na-2H]- 209.058386 146.1
[M]+ 188.08317142 140.9
[M]- 188.08426858 140.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.