CID 338576

Bis-peg1-acid

Structural Information

Molecular Formula

C₆H₁₀O₅

SMILES

C(COCCC(=O)O)C(=O)O

InChI

InChI=1S/C6H10O5/c7-5(8)1-3-11-4-2-6(9)10/h1-4H2,(H,7,8)(H,9,10)

InChIKey

FOSIWKADJDNVMJ-UHFFFAOYSA-N

Compound name

3-(2-carboxyethoxy)propanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 517
Patents: 162.05283 Da
Monoisotopic Mass: -0.9
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	140.4
[M+NH4]+	180.08665	137.8
[M+K]+	201.01599	138.1
[M-H]-	161.04555	128.8
[M+Na-2H]-	183.02750	133.5
[M]+	162.05228	132.2
[M]-	162.05338	132.2

Literature stripe

literature stripe

Patent stripe

patents stripe