CID 9877418

57544-94-2

Structural Information

Molecular Formula

C₉H₁₀O₂

SMILES

CC1=CC=C(O1)C(CC#C)O

InChI

InChI=1S/C9H10O2/c1-3-4-8(10)9-6-5-7(2)11-9/h1,5-6,8,10H,4H2,2H3

InChIKey

NOWHXSQOXFHUPB-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 45
Patents: 150.06808 Da
Monoisotopic Mass: 1.1
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]+	151.07536	129.7
[M+Na]+	173.05730	140.7
[M+NH4]+	168.10190	134.2
[M+K]+	189.03124	134.5
[M-H]-	149.06080	123.5
[M+Na-2H]-	171.04275	131.4
[M]+	150.06753	128.6
[M]-	150.06863	128.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe