CID 136505

2-hydroxytetrahydropyran

Structural Information

Molecular Formula

C₅H₁₀O₂

SMILES

C1CCOC(C1)O

InChI

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

InChIKey

CELWCAITJAEQNL-UHFFFAOYSA-N

Compound name

oxan-2-ol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 12
References: 11588
Patents: 102.06808 Da
Monoisotopic Mass: 0.4
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]+	103.075356	118.0
[M+Na]+	125.057298	123.6
[M-H]-	101.060804	120.5
[M+NH4]+	120.101903	139.0
[M+K]+	141.031238	124.5
[M+H-H2O]+	85.065340	113.3
[M+HCOO]-	147.066281	137.6
[M+CH3COO]-	161.081931	161.6
[M+Na-2H]-	123.042746	126.0
[M]+	102.06753142	113.8
[M]-	102.06862858	113.8

Literature stripe

literature stripe

Patent stripe

patents stripe