CID 592220

11,12-dimethoxydihydrokawain

Structural Information

Molecular Formula
C16H20O5
SMILES
COC1=CC(=O)OC(C1)CCC2=CC(=C(C=C2)OC)OC
InChI
InChI=1S/C16H20O5/c1-18-13-9-12(21-16(17)10-13)6-4-11-5-7-14(19-2)15(8-11)20-3/h5,7-8,10,12H,4,6,9H2,1-3H3
InChIKey
HEURTYMJWQPWNN-UHFFFAOYSA-N
Compound name
2-[2-(3,4-dimethoxyphenyl)ethyl]-4-methoxy-2,3-dihydropyran-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

292.13107 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.13835 165.5
[M+Na]+ 315.12029 172.9
[M-H]- 291.12379 173.0
[M+NH4]+ 310.16489 179.9
[M+K]+ 331.09423 172.4
[M+H-H2O]+ 275.12833 157.6
[M+HCOO]- 337.12927 186.6
[M+CH3COO]- 351.14492 203.0
[M+Na-2H]- 313.10574 168.8
[M]+ 292.13052 171.2
[M]- 292.13162 171.2
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

patents stripe