CID 97747

730-46-1

Structural Information

Molecular Formula

C₁₆H₃₀O₂

SMILES

CCCCCCCCCCCCC1CCC(=O)O1

InChI

InChI=1S/C16H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-15-13-14-16(17)18-15/h15H,2-14H2,1H3

InChIKey

SRIFJCOBFTWCTM-UHFFFAOYSA-N

Compound name

5-dodecyloxolan-2-one

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 1
References: 238
Patents: 254.22458 Da
Monoisotopic Mass: 6.0
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]+	255.23186	167.4
[M+Na]+	277.21380	170.9
[M-H]-	253.21730	169.7
[M+NH4]+	272.25840	184.9
[M+K]+	293.18774	169.0
[M+H-H2O]+	237.22184	161.0
[M+HCOO]-	299.22278	187.0
[M+CH3COO]-	313.23843	197.5
[M+Na-2H]-	275.19925	167.8
[M]+	254.22403	170.8
[M]-	254.22513	170.8

Literature stripe

literature stripe

Patent stripe

patents stripe