CID 315543

Nsc240920

Structural Information

Molecular Formula
C19H22O4
SMILES
CC1(CCC2=C3C(=C(C=C2O1)OC)C(=O)C4=C(O3)CCCC4)C
InChI
InChI=1S/C19H22O4/c1-19(2)9-8-12-14(23-19)10-15(21-3)16-17(20)11-6-4-5-7-13(11)22-18(12)16/h10H,4-9H2,1-3H3
InChIKey
IGQPALVXNJOHPL-UHFFFAOYSA-N
Compound name
6-methoxy-3,3-dimethyl-1,2,8,9,10,11-hexahydropyrano[2,3-c]xanthen-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

314.1518 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.15908 170.8
[M+Na]+ 337.14102 179.6
[M-H]- 313.14452 178.1
[M+NH4]+ 332.18562 188.1
[M+K]+ 353.11496 178.1
[M+H-H2O]+ 297.14906 162.6
[M+HCOO]- 359.15000 184.2
[M+CH3COO]- 373.16565 182.3
[M+Na-2H]- 335.12647 177.7
[M]+ 314.15125 172.9
[M]- 314.15235 172.9
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.