CID 62333

Diethyl tartrate

Structural Information

Molecular Formula

C₈H₁₄O₆

SMILES

CCOC(=O)C(C(C(=O)OCC)O)O

InChI

InChI=1S/C8H14O6/c1-3-13-7(11)5(9)6(10)8(12)14-4-2/h5-6,9-10H,3-4H2,1-2H3

InChIKey

YSAVZVORKRDODB-UHFFFAOYSA-N

Compound name

diethyl 2,3-dihydroxybutanedioate

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 35
References: 10345
Patents: 206.07904 Da
Monoisotopic Mass: -0.3
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]+	207.08632	144.4
[M+Na]+	229.06826	150.3
[M+NH4]+	224.11286	148.1
[M+K]+	245.04220	149.8
[M-H]-	205.07176	139.2
[M+Na-2H]-	227.05371	143.2
[M]+	206.07849	143.0
[M]-	206.07959	143.0

Literature stripe

literature stripe

Patent stripe

patents stripe