CID 63624378

2-[(oxetan-3-yl)amino]ethan-1-ol

Structural Information

Molecular Formula

C₅H₁₁NO₂

SMILES

C1C(CO1)NCCO

InChI

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

InChIKey

OQCWLAMXJVEQDQ-UHFFFAOYSA-N

Compound name

2-(oxetan-3-ylamino)ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 16
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]+	118.086256	119.8
[M+Na]+	140.068198	124.1
[M-H]-	116.071704	122.4
[M+NH4]+	135.112803	133.4
[M+K]+	156.042138	128.1
[M+H-H2O]+	100.076240	109.3
[M+HCOO]-	162.077181	141.2
[M+CH3COO]-	176.092831	171.9
[M+Na-2H]-	138.053646	127.9
[M]+	117.07843142	127.2
[M]-	117.07952858	127.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe