CID 131750893

Epoxyeremopetasinorol

Structural Information

Molecular Formula

C₁₃H₂₀O₃

SMILES

CC1C(CCC2C1(C3C(C2)(O3)C(=O)C)C)O

InChI

InChI=1S/C13H20O3/c1-7-10(15)5-4-9-6-13(8(2)14)11(16-13)12(7,9)3/h7,9-11,15H,4-6H2,1-3H3

InChIKey

IDTQMVOQRHWPMV-UHFFFAOYSA-N

Compound name

1-(3-hydroxy-1b,2-dimethyl-2,3,4,5,5a,6-hexahydro-1aH-indeno[1,2-b]oxiren-6a-yl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 224.14125 Da
Monoisotopic Mass: 1.2
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]+	225.148526	150.8
[M+Na]+	247.130468	160.6
[M-H]-	223.133974	156.2
[M+NH4]+	242.175073	170.2
[M+K]+	263.104408	159.0
[M+H-H2O]+	207.138510	148.0
[M+HCOO]-	269.139451	164.5
[M+CH3COO]-	283.155101	191.8
[M+Na-2H]-	245.115916	155.2
[M]+	224.14070142	153.7
[M]-	224.14179858	153.7

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.