CID 82337

1,4-dimethoxynaphthalene

Structural Information

Molecular Formula
C12H12O2
SMILES
COC1=CC=C(C2=CC=CC=C21)OC
InChI
InChI=1S/C12H12O2/c1-13-11-7-8-12(14-2)10-6-4-3-5-9(10)11/h3-8H,1-2H3
InChIKey
FWWRTYBQQDXLDD-UHFFFAOYSA-N
Compound name
1,4-dimethoxynaphthalene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1834
Patents

188.08372 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.09100 137.5
[M+Na]+ 211.07294 146.9
[M-H]- 187.07644 142.6
[M+NH4]+ 206.11754 158.8
[M+K]+ 227.04688 144.7
[M+H-H2O]+ 171.08098 131.5
[M+HCOO]- 233.08192 161.5
[M+CH3COO]- 247.09757 184.1
[M+Na-2H]- 209.05839 146.1
[M]+ 188.08317 140.9
[M]- 188.08427 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