CID 12641669

Methyl 2-chloro-3-methoxybutanoate

Structural Information

Molecular Formula

C₆H₁₁ClO₃

SMILES

CC(C(C(=O)OC)Cl)OC

InChI

InChI=1S/C6H11ClO3/c1-4(9-2)5(7)6(8)10-3/h4-5H,1-3H3

InChIKey

PNZMONLMUQDBJM-UHFFFAOYSA-N

Compound name

methyl 2-chloro-3-methoxybutanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 166.03967 Da
Monoisotopic Mass: 1.1
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	138.7
[M-H]-	165.032394	131.6
[M+NH4]+	184.073493	152.6
[M+K]+	205.002828	138.5
[M+H-H2O]+	149.036930	127.7
[M+HCOO]-	211.037871	148.4
[M+CH3COO]-	225.053521	178.0
[M+Na-2H]-	187.014336	134.2
[M]+	166.03912142	135.9
[M]-	166.04021858	135.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.