CID 131752231

Coriandrone a

Structural Information

Molecular Formula
C16H20O5
SMILES
CC1CC2=CC(=C3CC(OC3=C2C(=O)O1)C(C)(C)O)OC
InChI
InChI=1S/C16H20O5/c1-8-5-9-6-11(19-4)10-7-12(16(2,3)18)21-14(10)13(9)15(17)20-8/h6,8,12,18H,5,7H2,1-4H3
InChIKey
QBALHQFWXZYTDM-UHFFFAOYSA-N
Compound name
2-(2-hydroxypropan-2-yl)-4-methoxy-7-methyl-2,3,6,7-tetrahydrofuro[3,2-h]isochromen-9-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 164.1
[M+Na]+ 315.12029 175.1
[M+NH4]+ 310.16489 171.4
[M+K]+ 331.09423 173.2
[M-H]- 291.12379 167.2
[M+Na-2H]- 313.10574 164.4
[M]+ 292.13052 166.5
[M]- 292.13162 166.5
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