CID 166406

2(3h)-furanone, 3-dodecyldihydro-

Structural Information

Molecular Formula

C₁₆H₃₀O₂

SMILES

CCCCCCCCCCCCC1CCOC1=O

InChI

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

InChIKey

CKVQBYJDENROIT-UHFFFAOYSA-N

Compound name

3-dodecyloxolan-2-one

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 8
Patents: 254.22458 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]+	255.231856	167.4
[M+Na]+	277.213798	170.9
[M-H]-	253.217304	169.7
[M+NH4]+	272.258403	184.9
[M+K]+	293.187738	169.0
[M+H-H2O]+	237.221840	161.0
[M+HCOO]-	299.222781	187.0
[M+CH3COO]-	313.238431	197.5
[M+Na-2H]-	275.199246	167.8
[M]+	254.22403142	170.8
[M]-	254.22512858	170.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe