CID 266816

6,7-dimethoxy-1-tetralone

Structural Information

Molecular Formula
C12H14O3
SMILES
COC1=C(C=C2C(=C1)CCCC2=O)OC
InChI
InChI=1S/C12H14O3/c1-14-11-6-8-4-3-5-10(13)9(8)7-12(11)15-2/h6-7H,3-5H2,1-2H3
InChIKey
YNNJHKOXXBIJKK-UHFFFAOYSA-N
Compound name
6,7-dimethoxy-3,4-dihydro-2H-naphthalen-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

358
Patents

206.0943 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.10158 141.8
[M+Na]+ 229.08352 150.2
[M-H]- 205.08702 146.5
[M+NH4]+ 224.12812 162.3
[M+K]+ 245.05746 148.4
[M+H-H2O]+ 189.09156 135.9
[M+HCOO]- 251.09250 163.2
[M+CH3COO]- 265.10815 187.2
[M+Na-2H]- 227.06897 147.7
[M]+ 206.09375 143.5
[M]- 206.09485 143.5
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.