CID 15151925

116601-09-3

Structural Information

Molecular Formula

C₇H₁₂O₆

SMILES

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

InChI

InChI=1S/C7H12O6/c1-3(2)13-7(12)5(9)4(8)6(10)11/h3-5,8-9H,1-2H3,(H,10,11)/t4-,5-/m1/s1

InChIKey

SSZYZSRPAKZEIB-RFZPGFLSSA-N

Compound name

(2R,3R)-2,3-dihydroxy-4-oxo-4-propan-2-yloxybutanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 192.06339 Da
Monoisotopic Mass: -0.8
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]+	193.07067	140.3
[M+Na]+	215.05261	145.5
[M+NH4]+	210.09721	143.7
[M+K]+	231.02655	146.5
[M-H]-	191.05611	134.5
[M+Na-2H]-	213.03806	138.5
[M]+	192.06284	138.6
[M]-	192.06394	138.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe