CID 9942117

Oxetan-3-ol

Structural Information

Molecular Formula

C₃H₆O₂

SMILES

C1C(CO1)O

InChI

InChI=1S/C3H6O2/c4-3-1-5-2-3/h3-4H,1-2H2

InChIKey

QMLWSAXEQSBAAQ-UHFFFAOYSA-N

Compound name

oxetan-3-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 4706
Patents: 74.03678 Da
Monoisotopic Mass: -0.8
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]+	75.044056	104.3
[M+Na]+	97.025998	110.7
[M-H]-	73.029504	107.6
[M+NH4]+	92.070603	120.2
[M+K]+	112.99994	115.2
[M+H-H2O]+	57.034040	95.5
[M+HCOO]-	119.03498	125.6
[M+CH3COO]-	133.05063	161.3
[M+Na-2H]-	95.011446	113.8
[M]+	74.036231	111.9
[M]-	74.037329	111.9

Literature stripe

literature stripe

Patent stripe

patents stripe