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

8
Patents

202.09938 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.106656 141.8
[M+Na]+ 225.088598 151.7
[M-H]- 201.092104 147.1
[M+NH4]+ 220.133203 162.8
[M+K]+ 241.062538 149.3
[M+H-H2O]+ 185.096640 135.9
[M+HCOO]- 247.097581 165.5
[M+CH3COO]- 261.113231 188.3
[M+Na-2H]- 223.074046 149.2
[M]+ 202.09883142 146.0
[M]- 202.09992858 146.0
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

patents stripe