CID 11062557

65223-07-6

Structural Information

Molecular Formula

C₉H₁₂O₂

SMILES

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

InChI

InChI=1S/C9H12O2/c1-3-4-8(10)9-6-5-7(2)11-9/h3,5-6,8,10H,1,4H2,2H3

InChIKey

WYWAZUBJTKJQMD-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 29
Patents: 152.08372 Da
Monoisotopic Mass: 1.7
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]+	153.09100	132.1
[M+Na]+	175.07294	140.0
[M-H]-	151.07644	135.3
[M+NH4]+	170.11754	153.3
[M+K]+	191.04688	139.2
[M+H-H2O]+	135.08098	127.5
[M+HCOO]-	197.08192	154.6
[M+CH3COO]-	211.09757	173.8
[M+Na-2H]-	173.05839	136.6
[M]+	152.08317	133.3
[M]-	152.08427	133.3

Literature stripe

literature stripe

Patent stripe

patents stripe