CID 131752123

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

Structural Information

Molecular Formula

C₁₆H₂₄O₄

SMILES

CC1CCCC2C1(C(C3=C(C(=O)OC3(C2)OC)C)O)C

InChI

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

InChIKey

UTOHVMLCPJSXEB-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 280.16745 Da
Monoisotopic Mass: 2.3
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	162.6
[M+Na]+	303.156668	171.0
[M-H]-	279.160174	167.1
[M+NH4]+	298.201273	185.2
[M+K]+	319.130608	168.7
[M+H-H2O]+	263.164710	158.7
[M+HCOO]-	325.165651	176.2
[M+CH3COO]-	339.181301	199.6
[M+Na-2H]-	301.142116	165.8
[M]+	280.16690142	162.7
[M]-	280.16799858	162.7

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.