CID 227178

3-(furan-2-yl)propan-1-ol

Structural Information

Molecular Formula

C₇H₁₀O₂

SMILES

C1=COC(=C1)CCCO

InChI

InChI=1S/C7H10O2/c8-5-1-3-7-4-2-6-9-7/h2,4,6,8H,1,3,5H2

InChIKey

RDXPZEOZOFBBAJ-UHFFFAOYSA-N

Compound name

3-(furan-2-yl)propan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 150
Patents: 126.06808 Da
Monoisotopic Mass: 1.4
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]+	127.07536	124.0
[M+Na]+	149.05730	135.2
[M+NH4]+	144.10190	132.6
[M+K]+	165.03124	131.5
[M-H]-	125.06080	126.3
[M+Na-2H]-	147.04275	129.4
[M]+	126.06753	126.1
[M]-	126.06863	126.1

Literature stripe

literature stripe

Patent stripe

patents stripe