CID 5460048

Triglyceride

Structural Information

Molecular Formula

C₆H₈O₆

SMILES

C(C(COC=O)OC=O)OC=O

InChI

InChI=1S/C6H8O6/c7-3-10-1-6(12-5-9)2-11-4-8/h3-6H,1-2H2

InChIKey

UFTFJSFQGQCHQW-UHFFFAOYSA-N

Compound name

2,3-diformyloxypropyl formate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 87459
References: 53209
Patents: 176.03209 Da
Monoisotopic Mass: 0.0
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]+	177.03937	130.3
[M+Na]+	199.02131	137.9
[M-H]-	175.02481	130.6
[M+NH4]+	194.06591	150.1
[M+K]+	214.99525	139.2
[M+H-H2O]+	159.02935	125.1
[M+HCOO]-	221.03029	155.2
[M+CH3COO]-	235.04594	177.4
[M+Na-2H]-	197.00676	136.5
[M]+	176.03154	137.7
[M]-	176.03264	137.7

Literature stripe

literature stripe

Patent stripe

patents stripe