CID 131752927

3b-hydroxy-6b-methoxy-7(11)-eremophilen-12,8a-olide

Structural Information

Molecular Formula

C₁₆H₂₄O₄

SMILES

CC1C(CCC2C1(C(C3=C(C(=O)OC3C2)C)OC)C)O

InChI

InChI=1S/C16H24O4/c1-8-13-12(20-15(8)18)7-10-5-6-11(17)9(2)16(10,3)14(13)19-4/h9-12,14,17H,5-7H2,1-4H3

InChIKey

OBOOZVIHEDVWHF-UHFFFAOYSA-N

Compound name

6-hydroxy-4-methoxy-3,4a,5-trimethyl-4,5,6,7,8,8a,9,9a-octahydrobenzo[f][1]benzofuran-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 280.16745 Da
Monoisotopic Mass: 1.6
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]+	281.174726	163.5
[M+Na]+	303.156668	171.7
[M-H]-	279.160174	168.1
[M+NH4]+	298.201273	184.3
[M+K]+	319.130608	169.4
[M+H-H2O]+	263.164710	159.4
[M+HCOO]-	325.165651	177.1
[M+CH3COO]-	339.181301	201.2
[M+Na-2H]-	301.142116	164.8
[M]+	280.16690142	163.6
[M]-	280.16799858	163.6

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.