CID 14311

Butoxybenzene

Structural Information

Molecular Formula

C₁₀H₁₄O

SMILES

CCCCOC1=CC=CC=C1

InChI

InChI=1S/C10H14O/c1-2-3-9-11-10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3

InChIKey

YFNONBGXNFCTMM-UHFFFAOYSA-N

Compound name

butoxybenzene

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 8
References: 19124
Patents: 150.10446 Da
Monoisotopic Mass: 3.5
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]+	151.11174	131.9
[M+Na]+	173.09368	145.3
[M+NH4]+	168.13828	141.5
[M+K]+	189.06762	137.5
[M-H]-	149.09718	134.9
[M+Na-2H]-	171.07913	140.1
[M]+	150.10391	134.8
[M]-	150.10501	134.8

Literature stripe

literature stripe

Patent stripe

patents stripe