CID 77868

3-hexadecyldihydrofuran-2,5-dione

Structural Information

Molecular Formula

C₂₀H₃₆O₃

SMILES

CCCCCCCCCCCCCCCCC1CC(=O)OC1=O

InChI

InChI=1S/C20H36O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-17-19(21)23-20(18)22/h18H,2-17H2,1H3

InChIKey

GBBHWGRJHHNAGT-UHFFFAOYSA-N

Compound name

3-hexadecyloxolane-2,5-dione

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 1676
Patents: 324.26645 Da
Monoisotopic Mass: 8.0
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]+	325.27373	186.4
[M+Na]+	347.25567	189.3
[M-H]-	323.25917	188.3
[M+NH4]+	342.30027	201.2
[M+K]+	363.22961	186.3
[M+H-H2O]+	307.26371	179.5
[M+HCOO]-	369.26465	205.1
[M+CH3COO]-	383.28030	211.8
[M+Na-2H]-	345.24112	184.2
[M]+	324.26590	192.4
[M]-	324.26700	192.4

Literature stripe

literature stripe

Patent stripe

patents stripe