CID 361266

Nsc624208

Structural Information

Molecular Formula
C17H20O5
SMILES
CCOCC1=CC(=O)C2=C(O1)C3=C(C=C2O)OC(CC3)(C)C
InChI
InChI=1S/C17H20O5/c1-4-20-9-10-7-12(18)15-13(19)8-14-11(16(15)21-10)5-6-17(2,3)22-14/h7-8,19H,4-6,9H2,1-3H3
InChIKey
HDAQSDAAQZQLJN-UHFFFAOYSA-N
Compound name
2-(ethoxymethyl)-5-hydroxy-8,8-dimethyl-9,10-dihydropyrano[2,3-h]chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

304.13107 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.13835 167.5
[M+Na]+ 327.12029 177.5
[M-H]- 303.12379 173.6
[M+NH4]+ 322.16489 184.0
[M+K]+ 343.09423 176.6
[M+H-H2O]+ 287.12833 160.8
[M+HCOO]- 349.12927 183.7
[M+CH3COO]- 363.14492 204.6
[M+Na-2H]- 325.10574 174.8
[M]+ 304.13052 173.2
[M]- 304.13162 173.2
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