CID 109478

Acetic acid, butoxyhydroxy-, butyl ester

Structural Information

Molecular Formula

C₁₀H₂₀O₄

SMILES

CCCCOC(C(=O)OCCCC)O

InChI

InChI=1S/C10H20O4/c1-3-5-7-13-9(11)10(12)14-8-6-4-2/h9,11H,3-8H2,1-2H3

InChIKey

IVWCKBUPHQKJNH-UHFFFAOYSA-N

Compound name

butyl 2-butoxy-2-hydroxyacetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 26
Patents: 204.13615 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]+	205.14343	147.9
[M+Na]+	227.12537	155.6
[M+NH4]+	222.16997	153.4
[M+K]+	243.09931	151.7
[M-H]-	203.12887	145.1
[M+Na-2H]-	225.11082	148.7
[M]+	204.13560	147.7
[M]-	204.13670	147.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe