CID 31287

1-butoxyethoxy-2-propanol

Structural Information

Molecular Formula

C₉H₂₀O₃

SMILES

CCCCOCCOCC(C)O

InChI

InChI=1S/C9H20O3/c1-3-4-5-11-6-7-12-8-9(2)10/h9-10H,3-8H2,1-2H3

InChIKey

NPMRPDRLIHYOBW-UHFFFAOYSA-N

Compound name

1-(2-butoxyethoxy)propan-2-ol

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 0
References: 2913
Patents: 176.14125 Da
Monoisotopic Mass: 1.0
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]+	177.14853	141.0
[M+Na]+	199.13047	149.7
[M+NH4]+	194.17507	147.7
[M+K]+	215.10441	144.7
[M-H]-	175.13397	139.2
[M+Na-2H]-	197.11592	143.0
[M]+	176.14070	141.4
[M]-	176.14180	141.4

Literature stripe

literature stripe

Patent stripe

patents stripe