CID 139980

Tetrahydro-3-furanmethanol

Structural Information

Molecular Formula

C₅H₁₀O₂

SMILES

C1COCC1CO

InChI

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

InChIKey

PCPUMGYALMOCHF-UHFFFAOYSA-N

Compound name

oxolan-3-ylmethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2977
Patents: 102.06808 Da
Monoisotopic Mass: -0.2
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	125.0
[M-H]-	101.06080	121.1
[M+NH4]+	120.10190	141.3
[M+K]+	141.03124	125.8
[M+H-H2O]+	85.065340	114.2
[M+HCOO]-	147.06628	140.2
[M+CH3COO]-	161.08193	161.3
[M+Na-2H]-	123.04275	125.2
[M]+	102.06753	116.4
[M]-	102.06863	116.4

Literature stripe

literature stripe

Patent stripe

patents stripe