CID 77021

2,7-dimethoxynaphthalene

Structural Information

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

2D Structure

compound 2d structure
3
Annotation Hits

41
References

663
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

literature stripe

Patent stripe

patents stripe