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
3
Annotation Hits

1
References

3617
Patents

266.06378 Da
Monoisotopic Mass

-3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.07106 154.4
[M+Na]+ 289.05300 156.6
[M+NH4]+ 284.09760 154.6
[M+K]+ 305.02694 159.9
[M-H]- 265.05650 145.1
[M+Na-2H]- 287.03845 149.8
[M]+ 266.06323 150.9
[M]- 266.06433 150.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe