CID 526788

2(3h)-furanone, dihydro-5-tridecyl-

Structural Information

Molecular Formula

C₁₇H₃₂O₂

SMILES

CCCCCCCCCCCCCC1CCC(=O)O1

InChI

InChI=1S/C17H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-14-15-17(18)19-16/h16H,2-15H2,1H3

InChIKey

ZZKHCCCWEVWBPD-UHFFFAOYSA-N

Compound name

5-tridecyloxolan-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 39
Patents: 268.24023 Da
Monoisotopic Mass: 6.5
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]+	269.24751	172.0
[M+Na]+	291.22945	175.0
[M-H]-	267.23295	174.1
[M+NH4]+	286.27405	189.0
[M+K]+	307.20339	172.9
[M+H-H2O]+	251.23749	165.4
[M+HCOO]-	313.23843	191.3
[M+CH3COO]-	327.25408	200.5
[M+Na-2H]-	289.21490	171.8
[M]+	268.23968	175.7
[M]-	268.24078	175.7

Literature stripe

literature stripe

Patent stripe

patents stripe