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]+ 315.159076 170.8
[M+Na]+ 337.141018 179.6
[M-H]- 313.144524 178.1
[M+NH4]+ 332.185623 188.1
[M+K]+ 353.114958 178.1
[M+H-H2O]+ 297.149060 162.6
[M+HCOO]- 359.150001 184.2
[M+CH3COO]- 373.165651 182.3
[M+Na-2H]- 335.126466 177.7
[M]+ 314.15125142 172.9
[M]- 314.15234858 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.