CID 87891888

Monoethyl tartrate

Structural Information

Molecular Formula

C₆H₁₀O₆

SMILES

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

InChI

InChI=1S/C6H10O6/c1-2-12-6(11)4(8)3(7)5(9)10/h3-4,7-8H,2H2,1H3,(H,9,10)/t3-,4-/m1/s1

InChIKey

ZUDZWKJBYZAGBS-QWWZWVQMSA-N

Compound name

(2R,3R)-4-ethoxy-2,3-dihydroxy-4-oxobutanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 82
Patents: 178.04774 Da
Monoisotopic Mass: -1.0
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]+	179.055016	135.2
[M+Na]+	201.036958	140.6
[M-H]-	177.040464	131.4
[M+NH4]+	196.081563	152.7
[M+K]+	217.010898	141.4
[M+H-H2O]+	161.045000	130.7
[M+HCOO]-	223.045941	152.3
[M+CH3COO]-	237.061591	173.0
[M+Na-2H]-	199.022406	135.8
[M]+	178.04719142	135.4
[M]-	178.04828858	135.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe