CID 71404938

2-(but-3-yn-1-yl)-5-methylfuran

Structural Information

Molecular Formula

C₉H₁₀O

SMILES

CC1=CC=C(O1)CCC#C

InChI

InChI=1S/C9H10O/c1-3-4-5-9-7-6-8(2)10-9/h1,6-7H,4-5H2,2H3

InChIKey

DYBIUVCCMRSBBG-UHFFFAOYSA-N

Compound name

2-but-3-ynyl-5-methylfuran

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 134.07317 Da
Monoisotopic Mass: 2.3
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]+	135.080446	125.2
[M+Na]+	157.062388	136.5
[M-H]-	133.065894	128.1
[M+NH4]+	152.106993	145.5
[M+K]+	173.036328	134.0
[M+H-H2O]+	117.070430	114.2
[M+HCOO]-	179.071371	144.2
[M+CH3COO]-	193.087021	181.9
[M+Na-2H]-	155.047836	130.9
[M]+	134.07262142	122.2
[M]-	134.07371858	122.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe