CID 74956

Tetrahydro-2h-pyran-4-ol

Structural Information

Molecular Formula

C₅H₁₀O₂

SMILES

C1COCCC1O

InChI

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

InChIKey

LMYJGUNNJIDROI-UHFFFAOYSA-N

Compound name

oxan-4-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 7656
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	118.0
[M+Na]+	125.05730	123.6
[M-H]-	101.06080	120.5
[M+NH4]+	120.10190	139.0
[M+K]+	141.03124	124.5
[M+H-H2O]+	85.065340	113.3
[M+HCOO]-	147.06628	137.6
[M+CH3COO]-	161.08193	161.6
[M+Na-2H]-	123.04275	126.0
[M]+	102.06753	113.8
[M]-	102.06863	113.8

Literature stripe

literature stripe

Patent stripe

patents stripe