CID 131752981

Ipomeatetrahydrofuran

Structural Information

Molecular Formula

C₁₅H₂₈O₃

SMILES

CC(C)CC(=O)CC1(CCC(O1)C(C)CCO)C

InChI

InChI=1S/C15H28O3/c1-11(2)9-13(17)10-15(4)7-5-14(18-15)12(3)6-8-16/h11-12,14,16H,5-10H2,1-4H3

InChIKey

NQUGBBCWSQRMST-UHFFFAOYSA-N

Compound name

1-[5-(4-hydroxybutan-2-yl)-2-methyloxolan-2-yl]-4-methylpentan-2-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 0
Patents: 256.20386 Da
Monoisotopic Mass: 2.3
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]+	257.211136	165.7
[M+Na]+	279.193078	169.3
[M-H]-	255.196584	167.4
[M+NH4]+	274.237683	184.3
[M+K]+	295.167018	169.0
[M+H-H2O]+	239.201120	161.2
[M+HCOO]-	301.202061	181.4
[M+CH3COO]-	315.217711	196.1
[M+Na-2H]-	277.178526	164.0
[M]+	256.20331142	166.7
[M]-	256.20440858	166.7

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.