CID 131750892

Eremopetasinorol

Structural Information

Molecular Formula

C₁₃H₂₀O₂

SMILES

CC1C(CCC2C1(C=C(C2)C(=O)C)C)O

InChI

InChI=1S/C13H20O2/c1-8-12(15)5-4-11-6-10(9(2)14)7-13(8,11)3/h7-8,11-12,15H,4-6H2,1-3H3

InChIKey

GBUDXEBRIWMUIF-UHFFFAOYSA-N

Compound name

1-(5-hydroxy-3a,4-dimethyl-1,4,5,6,7,7a-hexahydroinden-2-yl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 208.14633 Da
Monoisotopic Mass: 2.0
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]+	209.153606	148.0
[M+Na]+	231.135548	155.3
[M-H]-	207.139054	151.1
[M+NH4]+	226.180153	171.6
[M+K]+	247.109488	152.4
[M+H-H2O]+	191.143590	144.2
[M+HCOO]-	253.144531	165.6
[M+CH3COO]-	267.160181	186.3
[M+Na-2H]-	229.120996	149.4
[M]+	208.14578142	145.7
[M]-	208.14687858	145.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe