CID 2724873

34006-60-5

Structural Information

Molecular Formula

C₆H₁₁ClO₃

SMILES

CCOC(C(=O)OCC)Cl

InChI

InChI=1S/C6H11ClO3/c1-3-9-5(7)6(8)10-4-2/h5H,3-4H2,1-2H3

InChIKey

CCAITLKAFIMPIT-UHFFFAOYSA-N

Compound name

ethyl 2-chloro-2-ethoxyacetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 166
Patents: 166.03967 Da
Monoisotopic Mass: 1.5
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]+	167.046946	131.3
[M+Na]+	189.028888	139.3
[M-H]-	165.032394	131.8
[M+NH4]+	184.073493	152.9
[M+K]+	205.002828	138.6
[M+H-H2O]+	149.036930	127.9
[M+HCOO]-	211.037871	149.7
[M+CH3COO]-	225.053521	177.1
[M+Na-2H]-	187.014336	135.7
[M]+	166.03912142	136.8
[M]-	166.04021858	136.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe