CID 85119654

Illudin c2

Structural Information

Molecular Formula

C₁₅H₂₀O₃

SMILES

CC1(CC2=C(C1)C(C3(CC3)C(=C)C2=O)(C)O)CO

InChI

InChI=1S/C15H20O3/c1-9-12(17)10-6-13(2,8-16)7-11(10)14(3,18)15(9)4-5-15/h16,18H,1,4-8H2,2-3H3

InChIKey

QZJXMQBEUMDWAU-UHFFFAOYSA-N

Compound name

7-hydroxy-2-(hydroxymethyl)-2,7-dimethyl-5-methylidenespiro[1,3-dihydroindene-6,1'-cyclopropane]-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 0
Patents: 248.14125 Da
Monoisotopic Mass: 0.7
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	155.7
[M+Na]+	271.130468	167.1
[M-H]-	247.133974	161.1
[M+NH4]+	266.175073	176.3
[M+K]+	287.104408	162.8
[M+H-H2O]+	231.138510	154.0
[M+HCOO]-	293.139451	170.9
[M+CH3COO]-	307.155101	193.0
[M+Na-2H]-	269.115916	159.8
[M]+	248.14070142	157.5
[M]-	248.14179858	157.5

Literature stripe

literature stripe

Patent stripe

patents stripe