CID 7360

Tetrahydrofurfuryl alcohol

Structural Information

Molecular Formula

C₅H₁₀O₂

SMILES

C1CC(OC1)CO

InChI

InChI=1S/C5H10O2/c6-4-5-2-1-3-7-5/h5-6H,1-4H2

InChIKey

BSYVTEYKTMYBMK-UHFFFAOYSA-N

Compound name

oxolan-2-ylmethanol

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 51
References: 86169
Patents: 102.06808 Da
Monoisotopic Mass: -0.1
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]+	103.07536	118.6
[M+Na]+	125.05730	128.4
[M+NH4]+	120.10190	127.5
[M+K]+	141.03124	125.6
[M-H]-	101.06080	120.6
[M+Na-2H]-	123.04275	122.7
[M]+	102.06753	120.3
[M]-	102.06863	120.3

Literature stripe

literature stripe

Patent stripe

patents stripe