CID 206308

Brn 1262869

Structural Information

Molecular Formula
C17H20O5
SMILES
COC1=C(C(=C2C(=C1)CCCC3=C2CCC(=O)O3)OC)OC
InChI
InChI=1S/C17H20O5/c1-19-13-9-10-5-4-6-12-11(7-8-14(18)22-12)15(10)17(21-3)16(13)20-2/h9H,4-8H2,1-3H3
InChIKey
XEBCPYUMEHLNGG-UHFFFAOYSA-N
Compound name
13,14,15-trimethoxy-6-oxatricyclo[9.4.0.02,7]pentadeca-1(15),2(7),11,13-tetraen-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

304.13107 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.13835 163.7
[M+Na]+ 327.12029 170.5
[M-H]- 303.12379 170.9
[M+NH4]+ 322.16489 179.1
[M+K]+ 343.09423 173.8
[M+H-H2O]+ 287.12833 158.6
[M+HCOO]- 349.12927 180.7
[M+CH3COO]- 363.14492 207.5
[M+Na-2H]- 325.10574 168.5
[M]+ 304.13052 165.5
[M]- 304.13162 165.5
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.