CID 21225521

25190-06-1

Structural Information

Molecular Formula

C₈H₁₈O₂

SMILES

CCCCOC(CC)CO

InChI

InChI=1S/C8H18O2/c1-3-5-6-10-8(4-2)7-9/h8-9H,3-7H2,1-2H3

InChIKey

BJZYYSAMLOBSDY-UHFFFAOYSA-N

Compound name

2-butoxybutan-1-ol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 29
References: 11272
Patents: 146.13068 Da
Monoisotopic Mass: 1.6
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	133.6
[M+Na]+	169.11990	143.0
[M+NH4]+	164.16450	141.1
[M+K]+	185.09384	137.7
[M-H]-	145.12340	132.5
[M+Na-2H]-	167.10535	136.4
[M]+	146.13013	134.4
[M]-	146.13123	134.4

Literature stripe

literature stripe

Patent stripe

patents stripe