CID 10800580

Enokipodin a

Structural Information

Molecular Formula

C₁₅H₂₀O₃

SMILES

CC1=CC2=C(C=C1O)[C@]3(CC[C@](C3(C)C)(O2)O)C

InChI

InChI=1S/C15H20O3/c1-9-7-12-10(8-11(9)16)14(4)5-6-15(17,18-12)13(14,2)3/h7-8,16-17H,5-6H2,1-4H3/t14-,15-/m1/s1

InChIKey

KANVQRLDTGOSBL-HUUCEWRRSA-N

Compound name

(1R,9R)-1,5,12,12-tetramethyl-8-oxatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-4,9-diol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 4
References: 0
Patents: 248.14125 Da
Monoisotopic Mass: 3.2
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]+	249.148526	154.0
[M+Na]+	271.130468	165.0
[M-H]-	247.133974	157.0
[M+NH4]+	266.175073	180.0
[M+K]+	287.104408	161.7
[M+H-H2O]+	231.138510	150.8
[M+HCOO]-	293.139451	168.9
[M+CH3COO]-	307.155101	167.0
[M+Na-2H]-	269.115916	161.7
[M]+	248.14070142	156.2
[M]-	248.14179858	156.2

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.