CID 86649704

Schembl926431

Structural Information

Molecular Formula

C₆H₁₂O₃

SMILES

CCO[C@H](C)C(=O)OC

InChI

InChI=1S/C6H12O3/c1-4-9-5(2)6(7)8-3/h5H,4H2,1-3H3/t5-/m1/s1

InChIKey

YVWPDYFVVMNWDT-RXMQYKEDSA-N

Compound name

methyl (2R)-2-ethoxypropanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 50
Patents: 132.07864 Da
Monoisotopic Mass: 0.8
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]+	133.08592	126.9
[M+Na]+	155.06786	136.5
[M+NH4]+	150.11246	134.1
[M+K]+	171.04180	132.7
[M-H]-	131.07136	125.4
[M+Na-2H]-	153.05331	129.9
[M]+	132.07809	127.5
[M]-	132.07919	127.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe