CID 213591

26767-96-4

Structural Information

Molecular Formula

C₁₅H₂₂O₄

SMILES

CC(CC(=O)CC1(CCC(O1)C2=COC=C2)C)CO

InChI

InChI=1S/C15H22O4/c1-11(9-16)7-13(17)8-15(2)5-3-14(19-15)12-4-6-18-10-12/h4,6,10-11,14,16H,3,5,7-9H2,1-2H3

InChIKey

LKVKWNDXOWODLO-UHFFFAOYSA-N

Compound name

1-[5-(furan-3-yl)-2-methyloxolan-2-yl]-5-hydroxy-4-methylpentan-2-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 1
Patents: 266.1518 Da
Monoisotopic Mass: 1.1
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]+	267.159076	163.8
[M+Na]+	289.141018	168.7
[M-H]-	265.144524	169.9
[M+NH4]+	284.185623	182.0
[M+K]+	305.114958	169.0
[M+H-H2O]+	249.149060	159.4
[M+HCOO]-	311.150001	182.0
[M+CH3COO]-	325.165651	193.3
[M+Na-2H]-	287.126466	164.2
[M]+	266.15125142	165.7
[M]-	266.15234858	165.7

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.