CID 3033853

Monoglyceride citrate

Structural Information

Molecular Formula

C₉H₁₄O₉

SMILES

C(C(COC(=O)CC(CC(=O)O)(C(=O)O)O)O)O

InChI

InChI=1S/C9H14O9/c10-3-5(11)4-18-7(14)2-9(17,8(15)16)1-6(12)13/h5,10-11,17H,1-4H2,(H,12,13)(H,15,16)

InChIKey

VQENOYXMFIFHCY-UHFFFAOYSA-N

Compound name

2-[2-(2,3-dihydroxypropoxy)-2-oxoethyl]-2-hydroxybutanedioic acid

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 1
References: 3998
Patents: 266.06378 Da
Monoisotopic Mass: -3.0
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]+	267.07106	153.0
[M+Na]+	289.05300	156.2
[M-H]-	265.05650	145.8
[M+NH4]+	284.09760	165.0
[M+K]+	305.02694	156.7
[M+H-H2O]+	249.06104	148.2
[M+HCOO]-	311.06198	165.3
[M+CH3COO]-	325.07763	184.0
[M+Na-2H]-	287.03845	152.7
[M]+	266.06323	153.6
[M]-	266.06433	153.6

Literature stripe

literature stripe

Patent stripe

patents stripe