CID 66337

P-butoxytoluene

Structural Information

Molecular Formula

C₁₁H₁₆O

SMILES

CCCCOC1=CC=C(C=C1)C

InChI

InChI=1S/C11H16O/c1-3-4-9-12-11-7-5-10(2)6-8-11/h5-8H,3-4,9H2,1-2H3

InChIKey

AGARRLZBNOJWLG-UHFFFAOYSA-N

Compound name

1-butoxy-4-methylbenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 2102
Patents: 164.12012 Da
Monoisotopic Mass: 3.6
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]+	165.12740	135.9
[M+Na]+	187.10934	149.5
[M+NH4]+	182.15394	145.3
[M+K]+	203.08328	141.6
[M-H]-	163.11284	138.9
[M+Na-2H]-	185.09479	143.7
[M]+	164.11957	138.8
[M]-	164.12067	138.8

Literature stripe

literature stripe

Patent stripe

patents stripe