CID 67388977

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

Structural Information

Molecular Formula

C₅H₁₁NO₂

SMILES

C1C(CN1)OCCO

InChI

InChI=1S/C5H11NO2/c7-1-2-8-5-3-6-4-5/h5-7H,1-4H2

InChIKey

QNTAEOFCYLOGRS-UHFFFAOYSA-N

Compound name

2-(azetidin-3-yloxy)ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 30
Patents: 117.07898 Da
Monoisotopic Mass: -1.2
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]+	118.08626	122.0
[M+Na]+	140.06820	127.0
[M-H]-	116.07170	121.2
[M+NH4]+	135.11280	135.2
[M+K]+	156.04214	129.0
[M+H-H2O]+	100.07624	111.5
[M+HCOO]-	162.07718	140.6
[M+CH3COO]-	176.09283	167.3
[M+Na-2H]-	138.05365	128.3
[M]+	117.07843	128.2
[M]-	117.07953	128.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe