CID 362032

Nsc625531

Structural Information

Molecular Formula
C17H20O4
SMILES
CCOCC1=CC(=O)C2=C(O1)C=C3C(=C2)CCC(O3)(C)C
InChI
InChI=1S/C17H20O4/c1-4-19-10-12-8-14(18)13-7-11-5-6-17(2,3)21-15(11)9-16(13)20-12/h7-9H,4-6,10H2,1-3H3
InChIKey
DBNRRYGRPNYFHZ-UHFFFAOYSA-N
Compound name
8-(ethoxymethyl)-2,2-dimethyl-3,4-dihydropyrano[3,2-g]chromen-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.13617 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.14345 164.1
[M+Na]+ 311.12539 173.8
[M-H]- 287.12889 171.2
[M+NH4]+ 306.16999 181.8
[M+K]+ 327.09933 173.0
[M+H-H2O]+ 271.13343 157.1
[M+HCOO]- 333.13437 181.8
[M+CH3COO]- 347.15002 203.4
[M+Na-2H]- 309.11084 172.3
[M]+ 288.13562 169.6
[M]- 288.13672 169.6
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.