CID 10975639

Refchem:594407

Structural Information

Molecular Formula

C₆H₁₂O₄

SMILES

CCOC(=O)C(C)(O)OC

InChI

InChI=1S/C6H12O4/c1-4-10-5(7)6(2,8)9-3/h8H,4H2,1-3H3

InChIKey

KEJJNQONIQTWNP-UHFFFAOYSA-N

Compound name

ethyl 2-hydroxy-2-methoxypropanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 18
Patents: 148.07356 Da
Monoisotopic Mass: 0.0
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]+	149.080836	129.6
[M+Na]+	171.062778	137.0
[M-H]-	147.066284	128.9
[M+NH4]+	166.107383	150.5
[M+K]+	187.036718	138.0
[M+H-H2O]+	131.070820	125.8
[M+HCOO]-	193.071761	150.6
[M+CH3COO]-	207.087411	172.0
[M+Na-2H]-	169.048226	135.8
[M]+	148.07301142	133.0
[M]-	148.07410858	133.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe