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: 70
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]+	183.137956	140.3
[M+Na]+	205.119898	149.0
[M-H]-	181.123404	144.9
[M+NH4]+	200.164503	161.7
[M+K]+	221.093838	148.3
[M+H-H2O]+	165.127940	135.7
[M+HCOO]-	227.128881	163.2
[M+CH3COO]-	241.144531	184.4
[M+Na-2H]-	203.105346	143.4
[M]+	182.13013142	144.2
[M]-	182.13122858	144.2

Literature stripe

literature stripe

Patent stripe

patents stripe