CID 54717357

Fumigermin

Structural Information

Molecular Formula

C₁₁H₁₄O₃

SMILES

C/C=C(\C)/C1=C(C(=C(C(=O)O1)C)O)C

InChI

InChI=1S/C11H14O3/c1-5-6(2)10-7(3)9(12)8(4)11(13)14-10/h5,12H,1-4H3/b6-5+

InChIKey

FBHONFXHWOMMPP-AATRIKPKSA-N

Compound name

6-[(E)-but-2-en-2-yl]-4-hydroxy-3,5-dimethylpyran-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 194.0943 Da
Monoisotopic Mass: 2.1
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]+	195.10158	140.8
[M+Na]+	217.08352	154.1
[M+NH4]+	212.12812	147.9
[M+K]+	233.05746	149.2
[M-H]-	193.08702	143.0
[M+Na-2H]-	215.06897	145.2
[M]+	194.09375	143.2
[M]-	194.09485	143.2

Literature stripe

literature stripe

Patent stripe

patents stripe