CID 10773115

1-methoxy-4-(prop-2-yn-1-yl)benzene

Structural Information

Molecular Formula

C₁₀H₁₀O

SMILES

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

InChI

InChI=1S/C10H10O/c1-3-4-9-5-7-10(11-2)8-6-9/h1,5-8H,4H2,2H3

InChIKey

FTVOPYIWXFTNOS-UHFFFAOYSA-N

Compound name

1-methoxy-4-prop-2-ynylbenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 111
Patents: 146.07317 Da
Monoisotopic Mass: 2.8
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]+	147.08045	129.9
[M+Na]+	169.06239	143.3
[M+NH4]+	164.10699	135.6
[M+K]+	185.03633	133.2
[M-H]-	145.06589	124.6
[M+Na-2H]-	167.04784	134.8
[M]+	146.07262	129.6
[M]-	146.07372	129.6

Literature stripe

literature stripe

Patent stripe

patents stripe