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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.10666 141.8
[M+Na]+ 225.08860 151.7
[M-H]- 201.09210 147.1
[M+NH4]+ 220.13320 162.8
[M+K]+ 241.06254 149.3
[M+H-H2O]+ 185.09664 135.9
[M+HCOO]- 247.09758 165.5
[M+CH3COO]- 261.11323 188.3
[M+Na-2H]- 223.07405 149.2
[M]+ 202.09883 146.0
[M]- 202.09993 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