CID 12306856

D-apionate

Structural Information

Molecular Formula

C₅H₁₀O₆

SMILES

C(C(CO)([C@H](C(=O)O)O)O)O

InChI

InChI=1S/C5H10O6/c6-1-5(11,2-7)3(8)4(9)10/h3,6-8,11H,1-2H2,(H,9,10)/t3-/m0/s1

InChIKey

WCFGGAKDAXZIAM-VKHMYHEASA-N

Compound name

(2R)-2,3,4-trihydroxy-3-(hydroxymethyl)butanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 24
Patents: 166.04774 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]+	167.05502	132.3
[M+Na]+	189.03696	137.5
[M+NH4]+	184.08156	135.8
[M+K]+	205.01090	138.4
[M-H]-	165.04046	125.8
[M+Na-2H]-	187.02241	130.9
[M]+	166.04719	130.4
[M]-	166.04829	130.4

Literature stripe

literature stripe

Patent stripe

patents stripe