CID 5089295

Prochamazulenogenin

Structural Information

Molecular Formula

C₁₅H₂₀O₃

SMILES

CC1C2CCC(C3=CCC(=C3C2OC1=O)C)(C)O

InChI

InChI=1S/C15H20O3/c1-8-4-5-11-12(8)13-10(6-7-15(11,3)17)9(2)14(16)18-13/h5,9-10,13,17H,4,6-7H2,1-3H3

InChIKey

BXBCLQRTBGRRDB-UHFFFAOYSA-N

Compound name

6-hydroxy-3,6,9-trimethyl-3,3a,4,5,8,9b-hexahydroazuleno[4,5-b]furan-2-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 124
Patents: 248.14125 Da
Monoisotopic Mass: 1.0
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]+	249.148526	154.9
[M+Na]+	271.130468	162.9
[M-H]-	247.133974	161.5
[M+NH4]+	266.175073	177.2
[M+K]+	287.104408	162.1
[M+H-H2O]+	231.138510	152.5
[M+HCOO]-	293.139451	171.9
[M+CH3COO]-	307.155101	167.4
[M+Na-2H]-	269.115916	156.2
[M]+	248.14070142	153.0
[M]-	248.14179858	153.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe