CID 4156264

81949-89-5

Structural Information

Molecular Formula

C₆H₁₀O₅

SMILES

COCC(CC(=O)O)C(=O)O

InChI

InChI=1S/C6H10O5/c1-11-3-4(6(9)10)2-5(7)8/h4H,2-3H2,1H3,(H,7,8)(H,9,10)

InChIKey

JRMIGLUYIVIFAU-UHFFFAOYSA-N

Compound name

2-(methoxymethyl)butanedioic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 19
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]+	163.060106	132.0
[M+Na]+	185.042048	138.1
[M-H]-	161.045554	129.5
[M+NH4]+	180.086653	150.9
[M+K]+	201.015988	138.6
[M+H-H2O]+	145.050090	127.4
[M+HCOO]-	207.051031	151.3
[M+CH3COO]-	221.066681	172.9
[M+Na-2H]-	183.027496	134.3
[M]+	162.05228142	133.3
[M]-	162.05337858	133.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe