CID 21702794

1-butanone, 1-(tetrahydro-2-furanyl)-

Structural Information

Molecular Formula

C₈H₁₄O₂

SMILES

CCCC(=O)C1CCCO1

InChI

InChI=1S/C8H14O2/c1-2-4-7(9)8-5-3-6-10-8/h8H,2-6H2,1H3

InChIKey

AJVISEDONRMJFV-UHFFFAOYSA-N

Compound name

1-(oxolan-2-yl)butan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 142.09938 Da
Monoisotopic Mass: 1.2
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]+	143.10666	131.4
[M+Na]+	165.08860	137.1
[M-H]-	141.09210	135.0
[M+NH4]+	160.13320	153.1
[M+K]+	181.06254	137.9
[M+H-H2O]+	125.09664	126.4
[M+HCOO]-	187.09758	152.8
[M+CH3COO]-	201.11323	173.1
[M+Na-2H]-	163.07405	135.6
[M]+	142.09883	130.9
[M]-	142.09993	130.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe