CID 15688828

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

Structural Information

Molecular Formula

C₁₀H₁₀O

SMILES

COC1=CC=CC=C1CC#C

InChI

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

InChIKey

NYGGUFDJFMUHFM-UHFFFAOYSA-N

Compound name

1-methoxy-2-prop-2-ynylbenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 146.07317 Da
Monoisotopic Mass: 2.9
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

No literature data available for this compound.

Patent stripe

patents stripe