CID 10423057

(r)-5-tridecylfuran-2(5h)-one

Structural Information

Molecular Formula

C₁₇H₃₀O₂

SMILES

CCCCCCCCCCCCC[C@@H]1C=CC(=O)O1

InChI

InChI=1S/C17H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-14-15-17(18)19-16/h14-16H,2-13H2,1H3/t16-/m1/s1

InChIKey

VXYITLXRBYCEBM-MRXNPFEDSA-N

Compound name

(2R)-2-tridecyl-2H-furan-5-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 266.22458 Da
Monoisotopic Mass: 6.9
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]+	267.231856	170.2
[M+Na]+	289.213798	174.3
[M-H]-	265.217304	172.7
[M+NH4]+	284.258403	187.4
[M+K]+	305.187738	172.0
[M+H-H2O]+	249.221840	163.6
[M+HCOO]-	311.222781	191.0
[M+CH3COO]-	325.238431	200.2
[M+Na-2H]-	287.199246	171.0
[M]+	266.22403142	175.4
[M]-	266.22512858	175.4

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.