CID 46631

1-methoxyisopropyl chloroacetate

Structural Information

Molecular Formula

C₆H₁₁ClO₃

SMILES

CC(C)(OC)OC(=O)CCl

InChI

InChI=1S/C6H11ClO3/c1-6(2,9-3)10-5(8)4-7/h4H2,1-3H3

InChIKey

PFYYFYKWCJMOMO-UHFFFAOYSA-N

Compound name

2-methoxypropan-2-yl 2-chloroacetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 166.03967 Da
Monoisotopic Mass: 1.3
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	131.0
[M+Na]+	189.028888	139.7
[M-H]-	165.032394	131.8
[M+NH4]+	184.073493	152.8
[M+K]+	205.002828	138.9
[M+H-H2O]+	149.036930	128.1
[M+HCOO]-	211.037871	148.8
[M+CH3COO]-	225.053521	176.6
[M+Na-2H]-	187.014336	137.4
[M]+	166.03912142	136.6
[M]-	166.04021858	136.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.