CID 44715269

Compound np-006111

Structural Information

Molecular Formula

C₁₅H₂₂O₅

SMILES

CC1(C(CCC2(C1C(C=C3C2(C(=O)OC3)O)O)C)O)C

InChI

InChI=1S/C15H22O5/c1-13(2)10(17)4-5-14(3)11(13)9(16)6-8-7-20-12(18)15(8,14)19/h6,9-11,16-17,19H,4-5,7H2,1-3H3

InChIKey

BWUOMAQMSRDZPZ-UHFFFAOYSA-N

Compound name

5,7,9b-trihydroxy-6,6,9a-trimethyl-3,5,5a,7,8,9-hexahydrobenzo[g][2]benzofuran-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 0
Patents: 282.14673 Da
Monoisotopic Mass: 0.2
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]+	283.154006	161.2
[M+Na]+	305.135948	170.2
[M-H]-	281.139454	163.5
[M+NH4]+	300.180553	184.2
[M+K]+	321.109888	167.3
[M+H-H2O]+	265.143990	158.7
[M+HCOO]-	327.144931	172.2
[M+CH3COO]-	341.160581	194.3
[M+Na-2H]-	303.121396	165.9
[M]+	282.14618142	159.7
[M]-	282.14727858	159.7

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.