CID 83904787

1337700-16-9

Structural Information

Molecular Formula

C₅H₁₁NO₂

SMILES

C1C(CO1)C(CO)N

InChI

InChI=1S/C5H11NO2/c6-5(1-7)4-2-8-3-4/h4-5,7H,1-3,6H2

InChIKey

NUTOBRVPKDFQLQ-UHFFFAOYSA-N

Compound name

2-amino-2-(oxetan-3-yl)ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 117.07898 Da
Monoisotopic Mass: -1.4
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	123.1
[M+Na]+	140.06820	127.1
[M-H]-	116.07170	125.3
[M+NH4]+	135.11280	136.3
[M+K]+	156.04214	131.2
[M+H-H2O]+	100.07624	112.5
[M+HCOO]-	162.07718	142.8
[M+CH3COO]-	176.09283	172.1
[M+Na-2H]-	138.05365	128.6
[M]+	117.07843	128.8
[M]-	117.07953	128.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe