CID 361265

Nsc624207

Structural Information

Molecular Formula
C18H22O5
SMILES
CCOCC1=CC(=O)C2=C(C=C3C(=C2O1)CCC(O3)(C)C)OC
InChI
InChI=1S/C18H22O5/c1-5-21-10-11-8-13(19)16-15(20-4)9-14-12(17(16)22-11)6-7-18(2,3)23-14/h8-9H,5-7,10H2,1-4H3
InChIKey
AKOYEPXBYYUGJO-UHFFFAOYSA-N
Compound name
2-(ethoxymethyl)-5-methoxy-8,8-dimethyl-9,10-dihydropyrano[2,3-h]chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

318.14673 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.15401 171.6
[M+Na]+ 341.13595 181.5
[M-H]- 317.13945 178.8
[M+NH4]+ 336.18055 188.2
[M+K]+ 357.10989 181.2
[M+H-H2O]+ 301.14399 164.3
[M+HCOO]- 363.14493 188.9
[M+CH3COO]- 377.16058 209.8
[M+Na-2H]- 339.12140 178.7
[M]+ 318.14618 179.3
[M]- 318.14728 179.3
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.