CID 10486952

214335-70-3

Structural Information

Molecular Formula

C₈H₁₄O₂

SMILES

CCCC1CCC(=O)OC1

InChI

InChI=1S/C8H14O2/c1-2-3-7-4-5-8(9)10-6-7/h7H,2-6H2,1H3

InChIKey

FTHJRZWIHWGZSJ-UHFFFAOYSA-N

Compound name

5-propyloxan-2-one

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 24
Patents: 142.09938 Da
Monoisotopic Mass: 1.9
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]+	143.10666	129.2
[M+Na]+	165.08860	135.2
[M-H]-	141.09210	133.0
[M+NH4]+	160.13320	149.5
[M+K]+	181.06254	135.7
[M+H-H2O]+	125.09664	124.0
[M+HCOO]-	187.09758	149.5
[M+CH3COO]-	201.11323	173.6
[M+Na-2H]-	163.07405	135.5
[M]+	142.09883	127.7
[M]-	142.09993	127.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe