CID 361666

Nsc624884

Structural Information

Molecular Formula
C12H12O3
SMILES
COC1=C2C(=O)CCC3C2=C(C=C1)OC3
InChI
InChI=1S/C12H12O3/c1-14-9-4-5-10-11-7(6-15-10)2-3-8(13)12(9)11/h4-5,7H,2-3,6H2,1H3
InChIKey
FVNOBZGVALPCAP-UHFFFAOYSA-N
Compound name
9-methoxy-2-oxatricyclo[6.3.1.04,12]dodeca-1(12),8,10-trien-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

204.07864 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.08592 140.3
[M+Na]+ 227.06786 149.1
[M-H]- 203.07136 145.8
[M+NH4]+ 222.11246 162.6
[M+K]+ 243.04180 147.6
[M+H-H2O]+ 187.07590 135.3
[M+HCOO]- 249.07684 160.0
[M+CH3COO]- 263.09249 154.3
[M+Na-2H]- 225.05331 146.9
[M]+ 204.07809 142.5
[M]- 204.07919 142.5
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.