CID 14160733

120211-74-7

Structural Information

Molecular Formula

C₁₁H₁₂O₂

SMILES

COC1=CC=C(C=C1)OCCC#C

InChI

InChI=1S/C11H12O2/c1-3-4-9-13-11-7-5-10(12-2)6-8-11/h1,5-8H,4,9H2,2H3

InChIKey

TVSISBZOHLWURU-UHFFFAOYSA-N

Compound name

1-but-3-ynoxy-4-methoxybenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 176.08372 Da
Monoisotopic Mass: 2.4
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]+	177.09100	136.8
[M+Na]+	199.07294	149.6
[M+NH4]+	194.11754	141.9
[M+K]+	215.04688	139.8
[M-H]-	175.07644	131.0
[M+Na-2H]-	197.05839	141.0
[M]+	176.08317	136.2
[M]-	176.08427	136.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe