CID 350892

13120-69-9

Structural Information

Molecular Formula
C12H14O3
SMILES
CC12CC=CCC1C(=O)C(=CC2=O)OC
InChI
InChI=1S/C12H14O3/c1-12-6-4-3-5-8(12)11(14)9(15-2)7-10(12)13/h3-4,7-8H,5-6H2,1-2H3
InChIKey
BWRSBDNPEDAAMK-UHFFFAOYSA-N
Compound name
3-methoxy-8a-methyl-5,8-dihydro-4aH-naphthalene-1,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

206.0943 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.10158 141.5
[M+Na]+ 229.08352 150.2
[M-H]- 205.08702 146.3
[M+NH4]+ 224.12812 164.0
[M+K]+ 245.05746 148.2
[M+H-H2O]+ 189.09156 136.4
[M+HCOO]- 251.09250 161.7
[M+CH3COO]- 265.10815 186.3
[M+Na-2H]- 227.06897 147.7
[M]+ 206.09375 141.5
[M]- 206.09485 141.5
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.