CID 20111

4-butoxybutan-1-ol

Structural Information

Molecular Formula

C₈H₁₈O₂

SMILES

CCCCOCCCCO

InChI

InChI=1S/C8H18O2/c1-2-3-7-10-8-5-4-6-9/h9H,2-8H2,1H3

InChIKey

OBXQRJAQMQQZMY-UHFFFAOYSA-N

Compound name

4-butoxybutan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2848
Patents: 146.13068 Da
Monoisotopic Mass: 2.0
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]+	147.13796	133.2
[M+Na]+	169.11990	142.9
[M+NH4]+	164.16450	140.8
[M+K]+	185.09384	136.8
[M-H]-	145.12340	132.3
[M+Na-2H]-	167.10535	136.4
[M]+	146.13013	134.1
[M]-	146.13123	134.1

Literature stripe

literature stripe

Patent stripe

patents stripe