CID 92007

Triglycerol

Structural Information

Molecular Formula

C₉H₂₀O₇

SMILES

C(C(COCC(COCC(CO)O)O)O)O

InChI

InChI=1S/C9H20O7/c10-1-7(12)3-15-5-9(14)6-16-4-8(13)2-11/h7-14H,1-6H2

InChIKey

AGNTUZCMJBTHOG-UHFFFAOYSA-N

Compound name

3-[3-(2,3-dihydroxypropoxy)-2-hydroxypropoxy]propane-1,2-diol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 19404
Patents: 240.1209 Da
Monoisotopic Mass: -3.3
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]+	241.12818	153.9
[M+Na]+	263.11012	157.6
[M+NH4]+	258.15472	156.4
[M+K]+	279.08406	157.8
[M-H]-	239.11362	147.2
[M+Na-2H]-	261.09557	150.8
[M]+	240.12035	151.6
[M]-	240.12145	151.6

Literature stripe

literature stripe

Patent stripe

patents stripe