CID 13560469

N-butoxyacetyl chloride

Structural Information

Molecular Formula

C₆H₁₁ClO₂

SMILES

CCCCOCC(=O)Cl

InChI

InChI=1S/C6H11ClO2/c1-2-3-4-9-5-6(7)8/h2-5H2,1H3

InChIKey

VDYXCTNJHWITDQ-UHFFFAOYSA-N

Compound name

2-butoxyacetyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 170
Patents: 150.04475 Da
Monoisotopic Mass: 1.9
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]+	151.05203	128.0
[M+Na]+	173.03397	139.2
[M+NH4]+	168.07857	136.1
[M+K]+	189.00791	133.2
[M-H]-	149.03747	127.2
[M+Na-2H]-	171.01942	132.0
[M]+	150.04420	129.5
[M]-	150.04530	129.5

Literature stripe

literature stripe

Patent stripe

patents stripe