CID 12599713

344322-62-9

Structural Information

Molecular Formula

C₅H₁₀O₂

SMILES

CC(C1CCO1)O

InChI

InChI=1S/C5H10O2/c1-4(6)5-2-3-7-5/h4-6H,2-3H2,1H3

InChIKey

PSGHHWNDLZRGKX-UHFFFAOYSA-N

Compound name

1-(oxetan-2-yl)ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 138
Patents: 102.06808 Da
Monoisotopic Mass: 0.0
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	115.9
[M+Na]+	125.05730	121.2
[M-H]-	101.06080	118.9
[M+NH4]+	120.10190	130.6
[M+K]+	141.03124	125.6
[M+H-H2O]+	85.065340	106.6
[M+HCOO]-	147.06628	135.5
[M+CH3COO]-	161.08193	168.0
[M+Na-2H]-	123.04275	122.8
[M]+	102.06753	123.6
[M]-	102.06863	123.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe