CID 131752232

Coriandrone b

Structural Information

Molecular Formula
C16H20O5
SMILES
CC1CC2=CC(=C3CC(C(OC3=C2C(=O)O1)(C)C)O)OC
InChI
InChI=1S/C16H20O5/c1-8-5-9-6-11(19-4)10-7-12(17)16(2,3)21-14(10)13(9)15(18)20-8/h6,8,12,17H,5,7H2,1-4H3
InChIKey
BWHXOOBBSCGLBC-UHFFFAOYSA-N
Compound name
3-hydroxy-5-methoxy-2,2,8-trimethyl-3,4,7,8-tetrahydropyrano[4,3-h]chromen-10-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

0
Patents

292.13107 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.13835 165.0
[M+Na]+ 315.12029 178.0
[M+NH4]+ 310.16489 174.2
[M+K]+ 331.09423 170.9
[M-H]- 291.12379 169.6
[M+Na-2H]- 313.10574 167.7
[M]+ 292.13052 168.3
[M]- 292.13162 168.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe