CID 361658

Nsc624876

Structural Information

Molecular Formula
C15H14O3
SMILES
COC1=C2CCC3CCC(=O)C4=C3C2=C(O4)C=C1
InChI
InChI=1S/C15H14O3/c1-17-11-6-7-12-14-9(11)4-2-8-3-5-10(16)15(18-12)13(8)14/h6-8H,2-5H2,1H3
InChIKey
LLXKFPDBYOGIIU-UHFFFAOYSA-N
Compound name
9-methoxy-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),8,10,12-tetraen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.0943 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.10158 149.5
[M+Na]+ 265.08352 158.9
[M-H]- 241.08702 155.5
[M+NH4]+ 260.12812 171.5
[M+K]+ 281.05746 156.3
[M+H-H2O]+ 225.09156 143.7
[M+HCOO]- 287.09250 167.8
[M+CH3COO]- 301.10815 163.0
[M+Na-2H]- 263.06897 156.7
[M]+ 242.09375 153.6
[M]- 242.09485 153.6
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.