CID 2060943

51591-38-9

Structural Information

Molecular Formula

C₈H₁₀O₈

SMILES

CC(=O)O[C@H]([C@H](C(=O)O)OC(=O)C)C(=O)O

InChI

InChI=1S/C8H10O8/c1-3(9)15-5(7(11)12)6(8(13)14)16-4(2)10/h5-6H,1-2H3,(H,11,12)(H,13,14)/t5-,6-/m1/s1

InChIKey

DNISEZBAYYIQFB-PHDIDXHHSA-N

Compound name

(2R,3R)-2,3-diacetyloxybutanedioic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 24939
Patents: 234.03757 Da
Monoisotopic Mass: -0.7
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]+	235.04485	143.6
[M+Na]+	257.02679	148.6
[M-H]-	233.03029	141.1
[M+NH4]+	252.07139	159.2
[M+K]+	273.00073	151.0
[M+H-H2O]+	217.03483	138.7
[M+HCOO]-	279.03577	160.6
[M+CH3COO]-	293.05142	185.5
[M+Na-2H]-	255.01224	141.9
[M]+	234.03702	146.7
[M]-	234.03812	146.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe