CID 14314904

Compound np-006173

Structural Information

Molecular Formula

C₁₆H₁₈O₆

SMILES

CC1CCCC2C(O2)C(=O)C3=C(CC(=O)O1)C=C(C=C3O)O

InChI

InChI=1S/C16H18O6/c1-8-3-2-4-12-16(22-12)15(20)14-9(6-13(19)21-8)5-10(17)7-11(14)18/h5,7-8,12,16-18H,2-4,6H2,1H3

InChIKey

BVDHPBILFRQGEC-UHFFFAOYSA-N

Compound name

15,17-dihydroxy-9-methyl-4,10-dioxatricyclo[11.4.0.03,5]heptadeca-1(13),14,16-triene-2,11-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 0
Patents: 306.11035 Da
Monoisotopic Mass: 2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	307.117626	162.1
[M+Na]+	329.099568	172.3
[M-H]-	305.103074	165.8
[M+NH4]+	324.144173	168.8
[M+K]+	345.073508	171.7
[M+H-H2O]+	289.107610	160.5
[M+HCOO]-	351.108551	174.8
[M+CH3COO]-	365.124201	199.9
[M+Na-2H]-	327.085016	165.7
[M]+	306.10980142	163.8
[M]-	306.11089858	163.8

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.