CID 69241

617-57-2

Structural Information

Molecular Formula

C₆H₁₀O₅

SMILES

CC(C(=O)OC(C)C(=O)O)O

InChI

InChI=1S/C6H10O5/c1-3(7)6(10)11-4(2)5(8)9/h3-4,7H,1-2H3,(H,8,9)

InChIKey

OZZQHCBFUVFZGT-UHFFFAOYSA-N

Compound name

2-(2-hydroxypropanoyloxy)propanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 7
References: 4191
Patents: 162.05283 Da
Monoisotopic Mass: -0.1
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]+	163.06011	132.0
[M+Na]+	185.04205	138.0
[M-H]-	161.04555	129.7
[M+NH4]+	180.08665	151.0
[M+K]+	201.01599	139.1
[M+H-H2O]+	145.05009	127.6
[M+HCOO]-	207.05103	150.4
[M+CH3COO]-	221.06668	173.2
[M+Na-2H]-	183.02750	133.1
[M]+	162.05228	132.6
[M]-	162.05338	132.6

Literature stripe

literature stripe

Patent stripe

patents stripe