CID 13192443

Dihydrobovolide

Structural Information

Molecular Formula

C₁₁H₁₈O₂

SMILES

CCCCCC1C(=C(C(=O)O1)C)C

InChI

InChI=1S/C11H18O2/c1-4-5-6-7-10-8(2)9(3)11(12)13-10/h10H,4-7H2,1-3H3

InChIKey

LRKURLXWGJNWOJ-UHFFFAOYSA-N

Compound name

3,4-dimethyl-2-pentyl-2H-furan-5-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 78
Patents: 182.13068 Da
Monoisotopic Mass: 2.9
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]+	183.13796	141.0
[M+Na]+	205.11990	152.3
[M+NH4]+	200.16450	149.1
[M+K]+	221.09384	148.1
[M-H]-	181.12340	143.5
[M+Na-2H]-	203.10535	144.3
[M]+	182.13013	143.2
[M]-	182.13123	143.2

Literature stripe

literature stripe

Patent stripe

patents stripe