CID 115417403

27877-74-3

Structural Information

Molecular Formula
C13H16O3
SMILES
CC1CCC(=O)C2=CC(=C(C=C12)OC)OC
InChI
InChI=1S/C13H16O3/c1-8-4-5-11(14)10-7-13(16-3)12(15-2)6-9(8)10/h6-8H,4-5H2,1-3H3
InChIKey
RAPJGHIPLLSVQY-UHFFFAOYSA-N
Compound name
6,7-dimethoxy-4-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

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.117216 145.9
[M+Na]+ 243.099158 154.9
[M-H]- 219.102664 150.9
[M+NH4]+ 238.143763 166.2
[M+K]+ 259.073098 152.8
[M+H-H2O]+ 203.107200 140.1
[M+HCOO]- 265.108141 167.0
[M+CH3COO]- 279.123791 191.5
[M+Na-2H]- 241.084606 150.7
[M]+ 220.10939142 148.4
[M]- 220.11048858 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.