CID 10844345

2-(oxetan-3-yl)ethan-1-ol

Structural Information

Molecular Formula

C₅H₁₀O₂

SMILES

C1C(CO1)CCO

InChI

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

InChIKey

LBOMVZHWFXVFLY-UHFFFAOYSA-N

Compound name

2-(oxetan-3-yl)ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 234
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	113.9
[M+Na]+	125.05730	119.4
[M-H]-	101.06080	116.8
[M+NH4]+	120.10190	128.6
[M+K]+	141.03124	123.4
[M+H-H2O]+	85.065340	104.6
[M+HCOO]-	147.06628	134.5
[M+CH3COO]-	161.08193	167.2
[M+Na-2H]-	123.04275	122.2
[M]+	102.06753	122.2
[M]-	102.06863	122.2

Literature stripe

literature stripe

Patent stripe

patents stripe