CID 10877193

2-furanbutanol

Structural Information

Molecular Formula

C₈H₁₂O₂

SMILES

C1=COC(=C1)CCCCO

InChI

InChI=1S/C8H12O2/c9-6-2-1-4-8-5-3-7-10-8/h3,5,7,9H,1-2,4,6H2

InChIKey

KUGYYICTOVROHW-UHFFFAOYSA-N

Compound name

4-(furan-2-yl)butan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 35
Patents: 140.08372 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]+	141.090996	128.5
[M+Na]+	163.072938	135.8
[M-H]-	139.076444	131.3
[M+NH4]+	158.117543	150.0
[M+K]+	179.046878	135.4
[M+H-H2O]+	123.080980	123.6
[M+HCOO]-	185.081921	152.1
[M+CH3COO]-	199.097571	169.7
[M+Na-2H]-	161.058386	135.5
[M]+	140.08317142	130.3
[M]-	140.08426858	130.3

Literature stripe

literature stripe

Patent stripe

patents stripe