CID 3828587

19201-34-4

Structural Information

Molecular Formula

C₆H₁₀O₅

SMILES

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

InChI

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

InChIKey

FBYFHODQAUBIOO-UHFFFAOYSA-N

Compound name

2-(1-carboxyethoxy)propanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 873
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	132.9
[M+Na]+	185.04205	139.6
[M+NH4]+	180.08665	137.5
[M+K]+	201.01599	139.1
[M-H]-	161.04555	128.4
[M+Na-2H]-	183.02750	132.7
[M]+	162.05228	131.9
[M]-	162.05338	131.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe