CID 131750936

Coriandrone d

Structural Information

Molecular Formula
C18H24O7
SMILES
CC1CC2=CC(=C(C(=C2C(=O)O1)O)CC(C(C)(C)O)OC(=O)C)OC
InChI
InChI=1S/C18H24O7/c1-9-6-11-7-13(23-5)12(16(20)15(11)17(21)24-9)8-14(18(3,4)22)25-10(2)19/h7,9,14,20,22H,6,8H2,1-5H3
InChIKey
ZSKZYWHCOISHNI-UHFFFAOYSA-N
Compound name
[3-hydroxy-1-(8-hydroxy-6-methoxy-3-methyl-1-oxo-3,4-dihydroisochromen-7-yl)-3-methylbutan-2-yl] acetate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

352.1522 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.15948 178.9
[M+Na]+ 375.14142 185.2
[M-H]- 351.14492 181.4
[M+NH4]+ 370.18602 190.8
[M+K]+ 391.11536 185.3
[M+H-H2O]+ 335.14946 173.2
[M+HCOO]- 397.15040 191.6
[M+CH3COO]- 411.16605 213.1
[M+Na-2H]- 373.12687 179.9
[M]+ 352.15165 184.0
[M]- 352.15275 184.0
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.