CID 63624565

3-[(oxetan-3-yl)amino]propan-1-ol

Structural Information

Molecular Formula

C₆H₁₃NO₂

SMILES

C1C(CO1)NCCCO

InChI

InChI=1S/C6H13NO2/c8-3-1-2-7-6-4-9-5-6/h6-8H,1-5H2

InChIKey

DFKLSCWEZOSLMI-UHFFFAOYSA-N

Compound name

3-(oxetan-3-ylamino)propan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 131.09464 Da
Monoisotopic Mass: -0.3
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]+	132.10192	124.5
[M+Na]+	154.08386	128.4
[M-H]-	130.08736	126.9
[M+NH4]+	149.12846	137.5
[M+K]+	170.05780	132.1
[M+H-H2O]+	114.09190	113.8
[M+HCOO]-	176.09284	145.5
[M+CH3COO]-	190.10849	174.8
[M+Na-2H]-	152.06931	132.0
[M]+	131.09409	132.2
[M]-	131.09519	132.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.