CID 11744922

4-((tetrahydrofuran-2-yl)oxy)butan-1-ol

Structural Information

Molecular Formula

C₈H₁₆O₃

SMILES

C1CC(OC1)OCCCCO

InChI

InChI=1S/C8H16O3/c9-5-1-2-6-10-8-4-3-7-11-8/h8-9H,1-7H2

InChIKey

NMPJHMFXHISVBR-UHFFFAOYSA-N

Compound name

4-(oxolan-2-yloxy)butan-1-ol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 663
Patents: 160.10994 Da
Monoisotopic Mass: 0.6
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]+	161.117216	135.3
[M+Na]+	183.099158	140.5
[M-H]-	159.102664	137.3
[M+NH4]+	178.143763	155.7
[M+K]+	199.073098	140.9
[M+H-H2O]+	143.107200	130.1
[M+HCOO]-	205.108141	156.2
[M+CH3COO]-	219.123791	172.5
[M+Na-2H]-	181.084606	140.3
[M]+	160.10939142	135.7
[M]-	160.11048858	135.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe