CID 84731066

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

Structural Information

Molecular Formula

C₅H₁₀O₃

SMILES

C1C(CO1)OCCO

InChI

InChI=1S/C5H10O3/c6-1-2-8-5-3-7-4-5/h5-6H,1-4H2

InChIKey

AQESVRJZOQPGDW-UHFFFAOYSA-N

Compound name

2-(oxetan-3-yloxy)ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 65
Patents: 118.062996 Da
Monoisotopic Mass: -0.9
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]+	119.070272	116.1
[M+Na]+	141.052214	121.5
[M-H]-	117.055720	118.9
[M+NH4]+	136.096819	130.2
[M+K]+	157.026154	126.0
[M+H-H2O]+	101.060256	106.5
[M+HCOO]-	163.061197	137.0
[M+CH3COO]-	177.076847	169.2
[M+Na-2H]-	139.037662	124.5
[M]+	118.06244742	125.8
[M]-	118.06354458	125.8

Literature stripe

literature stripe

Patent stripe

patents stripe