CID 64478317

408312-82-3

Structural Information

Molecular Formula
C13H16O3
SMILES
CC1CC2=CC(=C(C=C2C(=O)C1)OC)OC
InChI
InChI=1S/C13H16O3/c1-8-4-9-6-12(15-2)13(16-3)7-10(9)11(14)5-8/h6-8H,4-5H2,1-3H3
InChIKey
BBRBRTKBBDVNOL-UHFFFAOYSA-N
Compound name
6,7-dimethoxy-3-methyl-3,4-dihydro-2H-naphthalen-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.10994 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.11722 145.9
[M+Na]+ 243.09916 154.9
[M-H]- 219.10266 150.9
[M+NH4]+ 238.14376 166.2
[M+K]+ 259.07310 152.8
[M+H-H2O]+ 203.10720 140.1
[M+HCOO]- 265.10814 167.0
[M+CH3COO]- 279.12379 191.5
[M+Na-2H]- 241.08461 150.7
[M]+ 220.10939 148.4
[M]- 220.11049 148.4
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.